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Ruthenium(VIII) Oxide

  1. Victor S. Martín1,
  2. José M. Palazón1,
  3. Carmen M. Rodríguez1,
  4. C. Richard Nevill Jr2,
  5. Douglas K. Hutchinson3

Published Online: 16 SEP 2013

DOI: 10.1002/047084289X.rr009.pub3

e-EROS Encyclopedia of Reagents for Organic Synthesis

e-EROS Encyclopedia of Reagents for Organic Synthesis

How to Cite

Martín, V. S., Palazón, J. M., Rodríguez, C. M., Nevill, C. R. and Hutchinson, D. K. 2013. Ruthenium(VIII) Oxide. e-EROS Encyclopedia of Reagents for Organic Synthesis. .

Author Information

  1. 1

    University of La Laguna, Tenerife, Spain

  2. 2

    Eli Lilly Research Laboratories, Indianapolis, IN, USA

  3. 3

    Bedoukian Research, Danbury, CT, USA

Publication History

  1. Published Online: 16 SEP 2013

Featured Compounds

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  1. 1 - 240
Compound Information
Drug synonym:Not Available
Molecular Weight:272.3389
Molecular Formula:C17H20O3
SMILES:C[C@H]([C@@H](O)CO)C1=CC(=CC=C1)C(O)C1=CC=CC=C1
InChI:1S/C17H20O3/c1-12(16(19)11-18)14-8-5-9-15(10-14)17(20)13-6-3-2-4-7-13/h2-10,12,16-20H,11H2,1H3/t12-,16-,17?/m0/s1
InChIKey:VAXKCHKMXPRSPM-UBZWXBNLSA-N
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Compound Information
Drug synonym:dexketoprofen
Molecular Weight:254.2806
Molecular Formula:C16H14O3
SMILES:[H][C@@](C)(C(O)=O)C1=CC=CC(=C1)C(=O)C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:207.43
Molecular Formula:Cl3Ru
SMILES:Cl[Ru](Cl)Cl
InChI:1S/3ClH.Ru.3H/h3*1H;;;;/q;;;+3;;;/p-3
InChIKey:RVSOQSOUWJXKOX-UHFFFAOYSA-K
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Compound Information
Drug synonym:Not Available
Molecular Weight:213.8918
Molecular Formula:INaO4
SMILES:[Na+].[O-][I](=O)(=O)=O
InChI:1S/HIO4.Na/c2-1(3,4)5;/h(H,2,3,4,5);/q;+1/p-1
InChIKey:JQWHASGSAFIOCM-UHFFFAOYSA-M
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Compound Information
Drug synonym:carbon tetrachloride, Carbona, pyrene
Molecular Weight:153.823
Molecular Formula:CCl4
SMILES:ClC(Cl)(Cl)Cl
InChI:1S/CCl4/c2-1(3,4)5
InChIKey:VZGDMQKNWNREIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:41.0519
Molecular Formula:C2H3N
SMILES:CC#N
InChI:1S/C2H3N/c1-2-3/h1H3
InChIKey:WEVYAHXRMPXWCK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:307.3052
Molecular Formula:C13H17N5O4
SMILES:CC1(C)O[C@@H]2[C@@H](CO)O[C@H]([C@@H]2O1)N1C=NC2=C1N=CN=C2N
InChI:1S/C13H17N5O4/c1-13(2)21-8-6(3-19)20-12(9(8)22-13)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19H,3H2,1-2H3,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1
InChIKey:LCCLUOXEZAHUNS-WOUKDFQISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:335.3153
Molecular Formula:C14H17N5O5
SMILES:[H][C@]12OC(C)(C)O[C@@]1([H])[C@@H](O[C@@H]2CC(O)=O)N1C=NC2=C1N=CN=C2N
InChI:1S/C14H17N5O5/c1-14(2)23-9-6(3-7(20)21)22-13(10(9)24-14)19-5-18-8-11(15)16-4-17-12(8)19/h4-6,9-10,13H,3H2,1-2H3,(H,20,21)(H2,15,16,17)/t6-,9-,10-,13-/m1/s1
InChIKey:RCVUTWIBOYMODZ-ZRFIDHNTSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:OC[C@H]1O[C@H]1C1=CC=CC=C1
InChI:1S/C9H10O2/c10-6-8-9(11-8)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-,9+/m1/s1
InChIKey:PVALSANGMFRTQM-BDAKNGLRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:164.158
Molecular Formula:C9H8O3
SMILES:[H][C@@]1(O[C@@]1([H])C1=CC=CC=C1)C(O)=O
InChI:1S/C9H8O3/c10-9(11)8-7(12-8)6-4-2-1-3-5-6/h1-5,7-8H,(H,10,11)/t7-,8-/m0/s1
InChIKey:HALONVPKHYIEQU-YUMQZZPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1956
Molecular Formula:C8H14O2
SMILES:CCCC(C)(O)C#CCO
InChI:1S/C8H14O2/c1-3-5-8(2,10)6-4-7-9/h9-10H,3,5,7H2,1-2H3
InChIKey:XAYJRVLEEWDCSP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:CCCC(C)(O)C#CC=O
InChI:1S/C8H12O2/c1-3-5-8(2,10)6-4-7-9/h7,10H,3,5H2,1-2H3
InChIKey:KLJUFRONANNLHG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.983
Molecular Formula:CaCl2O2
SMILES:[Ca++].[O-]Cl.[O-]Cl
InChI:1S/Ca.2ClO/c;2*1-2/q+2;2*-1
InChIKey:ZKQDCIXGCQPQNV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3068
Molecular Formula:C14H20O3
SMILES:CC[C@]1(O)CCC2=C(OC)C=CC=C2[C@@H]1CO
InChI:1S/C14H20O3/c1-3-14(16)8-7-11-10(12(14)9-15)5-4-6-13(11)17-2/h4-6,12,15-16H,3,7-9H2,1-2H3/t12-,14-/m0/s1
InChIKey:ZZLJIIISDFJKDK-JSGCOSHPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:234.2909
Molecular Formula:C14H18O3
SMILES:CC[C@]1(O)CCC2=C(OC)C=CC=C2[C@@H]1C=O
InChI:1S/C14H18O3/c1-3-14(16)8-7-11-10(12(14)9-15)5-4-6-13(11)17-2/h4-6,9,12,16H,3,7-8H2,1-2H3/t12-,14-/m0/s1
InChIKey:KPFHMBSJEZKZSF-JSGCOSHPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:154.1632
Molecular Formula:C8H10O3
SMILES:[H][C@]12C[C@]3([H])C(=O)O[C@]([H])([C@@]1([H])O)[C@]3([H])C2
InChI:1S/C8H10O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-7,9H,1-2H2/t3-,4+,5-,6-,7-/m0/s1
InChIKey:SCDJKGVPVLZLED-REQIZBSHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.1473
Molecular Formula:C8H8O3
SMILES:[H][C@]12C[C@]3([H])C(=O)O[C@]([H])(C1=O)[C@]3([H])C2
InChI:1S/C8H8O3/c9-6-3-1-4-5(2-3)8(10)11-7(4)6/h3-5,7H,1-2H2/t3-,4+,5-,7-/m0/s1
InChIKey:YIGWIQOEFIWCLA-RULRNXASSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:133.07
Molecular Formula:O2Ru
SMILES:O=[Ru]=O
InChI:1S/2O.Ru
InChIKey:WOCIAKWEIIZHES-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.2998
Molecular Formula:C15H18O6
SMILES:[H][C@]12O[C@H](COC(=O)C3=CC=CC=C3)[C@H](O)[C@@]1([H])OC(C)(C)O2
InChI:1S/C15H18O6/c1-15(2)20-12-11(16)10(19-14(12)21-15)8-18-13(17)9-6-4-3-5-7-9/h3-7,10-12,14,16H,8H2,1-2H3/t10-,11+,12-,14-/m1/s1
InChIKey:WKRBIHIDJVMVGS-GFQSEFKGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:292.2839
Molecular Formula:C15H16O6
SMILES:[H][C@]12O[C@H](COC(=O)C3=CC=CC=C3)C(=O)[C@@]1([H])OC(C)(C)O2
InChI:1S/C15H16O6/c1-15(2)20-12-11(16)10(19-14(12)21-15)8-18-13(17)9-6-4-3-5-7-9/h3-7,10,12,14H,8H2,1-2H3/t10-,12-,14-/m1/s1
InChIKey:YOGBWRUAHKADCO-MPKXVKKWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.1684
Molecular Formula:C7H12O3
SMILES:CCOC(=O)C1CC(O)C1
InChI:1S/C7H12O3/c1-2-10-7(9)5-3-6(8)4-5/h5-6,8H,2-4H2,1H3
InChIKey:KTVUZBJHOAPDGC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:142.1525
Molecular Formula:C7H10O3
SMILES:CCOC(=O)C1CC(=O)C1
InChI:1S/C7H10O3/c1-2-10-7(9)5-3-6(8)4-5/h5H,2-4H2,1H3
InChIKey:BXBRFSMPBOTZHJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.1904
Molecular Formula:C9H12O2
SMILES:[H][C@]12C[C@]3([H])C[C@]([H])(C1)OC(=O)[C@]3([H])C2
InChI:1S/C9H12O2/c10-9-8-3-5-1-6(8)4-7(2-5)11-9/h5-8H,1-4H2/t5-,6+,7-,8+/m0/s1
InChIKey:CNBHJHBTZVZZQE-FKSUSPILSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.1898
Molecular Formula:C9H12O3
SMILES:[H][C@]12C[C@]([H])(CC(=O)C1)[C@@]([H])(C2)C(O)=O
InChI:1S/C9H12O3/c10-7-2-5-1-6(4-7)8(3-5)9(11)12/h5-6,8H,1-4H2,(H,11,12)/t5-,6+,8+/m0/s1
InChIKey:ZLFHZFJAIOAQSZ-SHYZEUOFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:18.0153
Molecular Formula:H2O
SMILES:[H]O[H]
InChI:1S/H2O/h1H2
InChIKey:XLYOFNOQVPJJNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.1583
Molecular Formula:C6H12O2
SMILES:[H]C1(O)CCC([H])(O)CC1
InChI:1S/C6H12O2/c7-5-1-2-6(8)4-3-5/h5-8H,1-4H2
InChIKey:VKONPUDBRVKQLM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1265
Molecular Formula:C6H8O2
SMILES:O=C1CCC(=O)CC1
InChI:1S/C6H8O2/c7-5-1-2-6(8)4-3-5/h1-4H2
InChIKey:DCZFGQYXRKMVFG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:74.442
Molecular Formula:ClNaO
SMILES:[Na+].[O-]Cl
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:295.1174
Molecular Formula:C9H14INO2
SMILES:CC1(C)[C@@H](CCCI)C(=O)NC1=O
InChI:1S/C9H14INO2/c1-9(2)6(4-3-5-10)7(12)11-8(9)13/h6H,3-5H2,1-2H3,(H,11,12,13)/t6-/m0/s1
InChIKey:ZAZZDHODQHQZLA-LURJTMIESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:199.2038
Molecular Formula:C9H13NO4
SMILES:CC1(C)[C@@H](CCC(O)=O)C(=O)NC1=O
InChI:1S/C9H13NO4/c1-9(2)5(3-4-6(11)12)7(13)10-8(9)14/h5H,3-4H2,1-2H3,(H,11,12)(H,10,13,14)/t5-/m0/s1
InChIKey:IKTYUMPJSGTTEX-YFKPBYRVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.9406
Molecular Formula:H5IO6
SMILES:O[I](O)(O)(O)(O)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.213
Molecular Formula:C8H8O2S
SMILES:OC(=O)CSC1=CC=CC=C1
InChI:1S/C8H8O2S/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey:MOTOSAGBNXXRRE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.212
Molecular Formula:C8H8O4S
SMILES:OC(=O)CS(=O)(=O)C1=CC=CC=C1
InChI:1S/C8H8O4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChIKey:YTEFAALYDTWTLB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:280.295
Molecular Formula:C10H16O7S
SMILES:CC(C)OC(=O)[C@H]1OS(=O)O[C@@H]1C(=O)OC(C)C
InChI:1S/C10H16O7S/c1-5(2)14-9(11)7-8(17-18(13)16-7)10(12)15-6(3)4/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKey:FQMVMSBHVDLVBO-YUMQZZPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:296.294
Molecular Formula:C10H16O8S
SMILES:CC(C)OC(=O)[C@H]1OS(=O)(=O)O[C@@H]1C(=O)OC(C)C
InChI:1S/C10H16O8S/c1-5(2)15-9(11)7-8(10(12)16-6(3)4)18-19(13,14)17-7/h5-8H,1-4H3/t7-,8-/m0/s1
InChIKey:AYLBDDPIVXJHHE-YUMQZZPRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:172.3077
Molecular Formula:C11H24O
SMILES:CCCCCCCCCCOC
InChI:1S/C11H24O/c1-3-4-5-6-7-8-9-10-11-12-2/h3-11H2,1-2H3
InChIKey:JPEWDCTZJFUITH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:186.2912
Molecular Formula:C11H22O2
SMILES:CCCCCCCCCC(=O)OC
InChI:1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
InChIKey:YRHYCMZPEVDGFQ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:346.4605
Molecular Formula:C21H30O4
SMILES:[H][C@]12CC(C)(C)[C@H](OCC3=CC=CC=C3)[C@@]1([H])[C@@H](C)C1(OCCO1)[C@H]2CO
InChI:1S/C21H30O4/c1-14-18-16(17(12-22)21(14)24-9-10-25-21)11-20(2,3)19(18)23-13-15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/t14-,16-,17+,18+,19-/m1/s1
InChIKey:WAWUGFHUYSFXJN-GYFISPQKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:374.4275
Molecular Formula:C21H26O6
SMILES:[H][C@]12CC(C)(C)[C@H](OC(=O)C3=CC=CC=C3)[C@@]1([H])[C@@H](C)C1(OCCO1)[C@H]2C(O)=O
InChI:1S/C21H26O6/c1-12-15-14(16(18(22)23)21(12)25-9-10-26-21)11-20(2,3)17(15)27-19(24)13-7-5-4-6-8-13/h4-8,12,14-17H,9-11H2,1-3H3,(H,22,23)/t12-,14+,15+,16-,17-/m1/s1
InChIKey:CCQNDTYSSVGSGV-UVLCOCDESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:552.6567
Molecular Formula:C35H36O6
SMILES:[H][C@]12O[C@H]([C@@H](O)COC(C3=CC=CC=C3)(C3=CC=CC=C3)C3=CC=CC=C3)[C@H](OCC3=CC=CC=C3)[C@@]1([H])OC(C)(C)O2
InChI:1S/C35H36O6/c1-34(2)40-32-31(37-23-25-15-7-3-8-16-25)30(39-33(32)41-34)29(36)24-38-35(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,29-33,36H,23-24H2,1-2H3/t29-,30+,31-,32+,33+/m0/s1
InChIKey:ZUIJMYWYRJZRJF-RGPGAZMKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:550.6409
Molecular Formula:C35H34O6
SMILES:[H][C@]12O[C@@H]([C@H](OCC3=CC=CC=C3)[C@@]1([H])OC(C)(C)O2)C(=O)COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C35H34O6/c1-34(2)40-32-31(37-23-25-15-7-3-8-16-25)30(39-33(32)41-34)29(36)24-38-35(26-17-9-4-10-18-26,27-19-11-5-12-20-27)28-21-13-6-14-22-28/h3-22,30-33H,23-24H2,1-2H3/t30-,31+,32-,33-/m1/s1
InChIKey:SARMGKCTQXIJHQ-VBWFMVIDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:138.2055
Molecular Formula:CK2O3
SMILES:[K+].[K+].[O-]C([O-])=O
InChI:1S/CH2O3.2K/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2
InChIKey:BWHMMNNQKKPAPP-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:227.773
Molecular Formula:C13H22ClN
SMILES:[Cl-].CC[N+](CC)(CC)CC1=CC=CC=C1
InChI:1S/C13H22N.ClH/c1-4-14(5-2,6-3)12-13-10-8-7-9-11-13;/h7-11H,4-6,12H2,1-3H3;1H/q+1;/p-1
InChIKey:HTZCNXWZYVXIMZ-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:46.0684
Molecular Formula:C2H6O
SMILES:CCO
InChI:1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey:LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.239
Molecular Formula:C12H14O
SMILES:[H][C@]12[C@@]3([H])[C@]4([H])[C@@]1([H])[C@@]1([H])CO[C@]4([H])[C@@]4([H])[C@]3([H])C[C@]2([H])[C@@]14[H]
InChI:1S/C12H14O/c1-3-6-5-2-13-12-10(6)4(1)8-7(3)9(5)11(8)12/h3-12H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11-,12-/m1/s1
InChIKey:FQYRMHPBGOYKJB-IJXCPWHCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:188.2225
Molecular Formula:C12H12O2
SMILES:[H][C@]12[C@@]3([H])[C@@]4([H])[C@]1([H])[C@]1([H])OC(=O)[C@@]4([H])[C@]4([H])[C@@]3([H])C[C@@]2([H])[C@]14[H]
InChI:1S/C12H12O2/c13-12-10-6-2-1-3-5-4(2)8(10)9(5)11(14-12)7(3)6/h2-11H,1H2/t2-,3+,4-,5-,6+,7-,8-,9+,10-,11+/m0/s1
InChIKey:MNKSGGSKBRJEQR-YTVOMOGDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:126.1962
Molecular Formula:C8H14O
SMILES:[H][C@@]12CC[C@]1(C)CO[C@@H]2C
InChI:1S/C8H14O/c1-6-7-3-4-8(7,2)5-9-6/h6-7H,3-5H2,1-2H3/t6-,7+,8-/m1/s1
InChIKey:KKFYNRDXEGFGIB-GJMOJQLCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.1791
Molecular Formula:C8H12O3
SMILES:CC(=O)[C@@H]1CC[C@]1(C)C(O)=O
InChI:1S/C8H12O3/c1-5(9)6-3-4-8(6,2)7(10)11/h6H,3-4H2,1-2H3,(H,10,11)/t6-,8-/m0/s1
InChIKey:UFTQTWVIVHZIQX-XPUUQOCRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:126.1962
Molecular Formula:C8H14O
SMILES:[H][C@]12CC[C@@]1(C)CO[C@@H]2C
InChI:1S/C8H14O/c1-6-7-3-4-8(7,2)5-9-6/h6-7H,3-5H2,1-2H3/t6-,7-,8+/m1/s1
InChIKey:KKFYNRDXEGFGIB-PRJMDXOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.1791
Molecular Formula:C8H12O3
SMILES:CC(=O)[C@H]1CC[C@@]1(C)C(O)=O
InChI:1S/C8H12O3/c1-5(9)6-3-4-8(6,2)7(10)11/h6H,3-4H2,1-2H3,(H,10,11)/t6-,8-/m1/s1
InChIKey:UFTQTWVIVHZIQX-HTRCEHHLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:[H][C@]12CC[C@@]1(C)C(=O)O[C@@H]2C
InChI:1S/C8H12O2/c1-5-6-3-4-8(6,2)7(9)10-5/h5-6H,3-4H2,1-2H3/t5-,6-,8-/m1/s1
InChIKey:JOQXMTSIFQKSIS-ATRFCDNQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:C1CCCOCC1
InChI:1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2
InChIKey:UHHKSVZZTYJVEG-UHFFFAOYSA-N
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Compound Information
Drug synonym:adipic acid, adipic acid), hexanedioic acid
Molecular Weight:146.1412
Molecular Formula:C6H10O4
SMILES:OC(=O)CCCCC(O)=O
InChI:1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey:WNLRTRBMVRJNCN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1051
Molecular Formula:C4H8O2
SMILES:CCOC(C)=O
InChI:1S/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
InChIKey:XEKOWRVHYACXOJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:165.07
Molecular Formula:O4Ru
SMILES:O=[Ru](=O)(=O)=O
InChI:1S/4O.Ru
InChIKey:GJFMDWMEOCWXGJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:194.2701
Molecular Formula:C12H18O2
SMILES:CC(C)=C\C=C/C(/C)=C/COC(C)=O
InChI:1S/C12H18O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h5-8H,9H2,1-4H3/b7-5-,11-8+
InChIKey:AJZLSTLRUVMNGH-UKJSTWFMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:246.3001
Molecular Formula:C12H22O5
SMILES:[H][C@@]1(CC[C@](C)(O1)[C@@H](O)COC(C)=O)C(C)(C)O
InChI:1S/C12H22O5/c1-8(13)16-7-9(14)12(4)6-5-10(17-12)11(2,3)15/h9-10,14-15H,5-7H2,1-4H3/t9-,10+,12-/m0/s1
InChIKey:SNDPUZWEPSBDDL-UMNHJUIQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.2842
Molecular Formula:C12H20O5
SMILES:[H][C@@]1(CC[C@](C)(O1)C(=O)COC(C)=O)C(C)(C)O
InChI:1S/C12H20O5/c1-8(13)16-7-9(14)12(4)6-5-10(17-12)11(2,3)15/h10,15H,5-7H2,1-4H3/t10-,12+/m1/s1
InChIKey:PZGIDUXIHYVZRB-PWSUYJOCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:246.3001
Molecular Formula:C12H22O5
SMILES:[H][C@]1(CC[C@](C)(O1)[C@@H](O)COC(C)=O)C(C)(C)O
InChI:1S/C12H22O5/c1-8(13)16-7-9(14)12(4)6-5-10(17-12)11(2,3)15/h9-10,14-15H,5-7H2,1-4H3/t9-,10-,12-/m0/s1
InChIKey:SNDPUZWEPSBDDL-NHCYSSNCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.429
Molecular Formula:C18H30O3
SMILES:CCCCC[C@H]1CCCCC[C@@H](CC#CCCC(O)=O)O1
InChI:1S/C18H30O3/c1-2-3-6-11-16-12-7-4-8-13-17(21-16)14-9-5-10-15-18(19)20/h16-17H,2-4,6-8,10-15H2,1H3,(H,19,20)/t16-,17-/m0/s1
InChIKey:MCLDNODFLUMNIR-IRXDYDNUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:326.4278
Molecular Formula:C18H30O5
SMILES:CCCCC[C@H]1CCCCC[C@@H](CC(=O)C(=O)CCC(O)=O)O1
InChI:1S/C18H30O5/c1-2-3-5-8-14-9-6-4-7-10-15(23-14)13-17(20)16(19)11-12-18(21)22/h14-15H,2-13H2,1H3,(H,21,22)/t14-,15-/m0/s1
InChIKey:FMYGYFNIEMVKHM-GJZGRUSLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.1968
Molecular Formula:C8H14
SMILES:[H][C@]12CC[C@]([H])(C1)C(C)C2
InChI:1S/C8H14/c1-6-4-7-2-3-8(6)5-7/h6-8H,2-5H2,1H3/t6?,7-,8-/m1/s1
InChIKey:KWSARSUDWPZTFF-SPDVFEMOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:126.1962
Molecular Formula:C8H14O
SMILES:[H][C@]12CC[C@]([H])(C1)[C@](C)(O)C2
InChI:1S/C8H14O/c1-8(9)5-6-2-3-7(8)4-6/h6-7,9H,2-5H2,1H3/t6-,7+,8+/m0/s1
InChIKey:QBAQBGVSOIIKBF-XLPZGREQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.1537
Molecular Formula:C7H10O
SMILES:[H][C@]12O[C@@]1([H])[C@]1([H])CC[C@@]2([H])C1
InChI:1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2/t4-,5+,6+,7-
InChIKey:OHNNZOOGWXZCPZ-RNGGSSJXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.1372
Molecular Formula:C7H8O2
SMILES:[H][C@@]12CC[C@@]([H])(C(=O)C1)C2=O
InChI:1S/C7H8O2/c8-6-3-4-1-2-5(6)7(4)9/h4-5H,1-3H2/t4-,5+/m1/s1
InChIKey:LPXXNZMISRDHLW-UHNVWZDZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:188.3086
Molecular Formula:C14H20
SMILES:[H][C@@]12CCC[C@]1([H])[C@@]1([H])C3=C(CCC3)C[C@@]1([H])C2
InChI:1S/C14H20/c1-3-9-7-11-8-10-4-2-6-13(10)14(11)12(9)5-1/h9,11-12,14H,1-8H2/t9-,11+,12-,14-/m0/s1
InChIKey:UDCRBYUHBIHURS-TWJQMWNJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:220.3074
Molecular Formula:C14H20O2
SMILES:[H][C@@]12CCC[C@]1([H])[C@@]1([H])C(=O)CCCC(=O)C[C@@]1([H])C2
InChI:1S/C14H20O2/c15-11-4-2-6-13(16)14-10(8-11)7-9-3-1-5-12(9)14/h9-10,12,14H,1-8H2/t9-,10+,12-,14-/m0/s1
InChIKey:IENVUIOIABHFLY-QPPBUOOMSA-N
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Compound Information
Drug synonym:testosterone acetate
Molecular Weight:330.4611
Molecular Formula:C21H30O3
SMILES:[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C
InChI:1S/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1
InChIKey:DJPZSBANTAQNFN-PXQJOHHUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:350.4492
Molecular Formula:C20H30O5
SMILES:[H][C@@]12CC[C@H](OC(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC(=O)[C@]1(C)CCC(O)=O
InChI:1S/C20H30O5/c1-12(21)25-17-7-5-14-13-4-6-16(22)19(2,11-9-18(23)24)15(13)8-10-20(14,17)3/h13-15,17H,4-11H2,1-3H3,(H,23,24)/t13-,14-,15-,17-,19+,20-/m0/s1
InChIKey:GWOXMXSMCJLTCE-SWXUPSNXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:58.0791
Molecular Formula:C3H6O
SMILES:CC(C)=O
InChI:1S/C3H6O/c1-3(2)4/h1-2H3
InChIKey:CSCPPACGZOOCGX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:102.1332
Molecular Formula:C8H6
SMILES:C#CC1=CC=CC=C1
InChI:1S/C8H6/c1-2-8-6-4-3-5-7-8/h1,3-7H
InChIKey:UEXCJVNBTNXOEH-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzenecarboxylic acid
Molecular Weight:122.1213
Molecular Formula:C7H6O2
SMILES:OC(=O)C1=CC=CC=C1
InChI:1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChIKey:WPYMKLBDIGXBTP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:152.2334
Molecular Formula:C10H16O
SMILES:[H][C@@]12C[C@@]([H])(C(C)=C[C@H]1O)C2(C)C
InChI:1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9+/m0/s1
InChIKey:WONIGEXYPVIKFS-DJLDLDEBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.2057
Molecular Formula:C9H14O3
SMILES:CC(=O)[C@@H]1C[C@H](C(O)=O)C1(C)C
InChI:1S/C9H14O3/c1-5(10)6-4-7(8(11)12)9(6,2)3/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7+/m0/s1
InChIKey:VZUKBNZKASVATD-NKWVEPMBSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.2316
Molecular Formula:C10H16O4
SMILES:C[C@H]1CCC[C@H](C(O)=O)[C@]1(C)C(O)=O
InChI:1S/C10H16O4/c1-6-4-3-5-7(8(11)12)10(6,2)9(13)14/h6-7H,3-5H2,1-2H3,(H,11,12)(H,13,14)/t6-,7+,10+/m0/s1
InChIKey:NXHSZIRPGJYHQU-NYNCVSEMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2554
Molecular Formula:C12H16
SMILES:[CH2:2]1[CH2:1][CH2:6][CH:5]([CH2:4][CH2:3]1)[C:8]1=[CH:7][CH:12]=[CH:11][CH:10]=[CH:9]1
InChI:1S/C12H16/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey:IGARGHRYKHJQSM-UHFFFAOYSA-N
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Compound Information
Drug synonym:cyclohexanecarboxylic acid, Hexahydrobenzoic Acid
Molecular Weight:128.169
Molecular Formula:C7H12O2
SMILES:OC(=O)C1CCCCC1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.1705
Molecular Formula:C10H8
SMILES:C1=CC2=CC=CC=C2C=C1
InChI:1S/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
InChIKey:UFWIBTONFRDIAS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.1308
Molecular Formula:C8H6O4
SMILES:OC(=O)C1=C(C=CC=C1)C(O)=O
InChI:1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
InChIKey:XNGIFLGASWRNHJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:268.3502
Molecular Formula:C18H20O2
SMILES:CCC(CCC1=CC=CC=C1)OC(=O)C1=CC=CC=C1
InChI:1S/C18H20O2/c1-2-17(14-13-15-9-5-3-6-10-15)20-18(19)16-11-7-4-8-12-16/h3-12,17H,2,13-14H2,1H3
InChIKey:IBCIDWLXGNPSNR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.2637
Molecular Formula:C13H16O4
SMILES:CCC(CCC(O)=O)OC(=O)C1=CC=CC=C1
InChI:1S/C13H16O4/c1-2-11(8-9-12(14)15)17-13(16)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,15)
InChIKey:GHAYIWKVVIZRGC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:170.229
Molecular Formula:C8H10O2S
SMILES:C[C@H](OC(C)=O)C1=CC=CS1
InChI:1S/C8H10O2S/c1-6(10-7(2)9)8-4-3-5-11-8/h3-6H,1-2H3/t6-/m0/s1
InChIKey:UMPWVJJKMHJYAA-LURJTMIESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.1146
Molecular Formula:C5H8O4
SMILES:C[C@H](OC(C)=O)C(O)=O
InChI:1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
InChIKey:WTLNOANVTIKPEE-VKHMYHEASA-N
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Compound Information
Drug synonym:benzo[b]pyridine, leucoline
Molecular Weight:129.1586
Molecular Formula:C9H7N
SMILES:C1=CC=C2N=CC=CC2=C1
InChI:1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
InChIKey:SMWDFEZZVXVKRB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:167.1189
Molecular Formula:C7H5NO4
SMILES:OC(=O)C1=CC=CN=C1C(O)=O
InChI:1S/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChIKey:GJAWHXHKYYXBSV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:129.1586
Molecular Formula:C9H7N
SMILES:C1=CC=C2C=NC=CC2=C1
InChI:1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
InChIKey:AWJUIBRHMBBTKR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:181.1885
Molecular Formula:C9H11NO3
SMILES:CC(OC(C)=O)C1=[N+]([O-])C=CC=C1
InChI:1S/C9H11NO3/c1-7(13-8(2)11)9-5-3-4-6-10(9)12/h3-7H,1-2H3
InChIKey:ABOMEXKJYSVWRC-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.1146
Molecular Formula:C5H8O4
SMILES:CC(OC(C)=O)C(O)=O
InChI:1S/C5H8O4/c1-3(5(7)8)9-4(2)6/h3H,1-2H3,(H,7,8)
InChIKey:WTLNOANVTIKPEE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:116.1583
Molecular Formula:C6H12O2
SMILES:OC1CCCCC1O
InChI:1S/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
InChIKey:PFURGBBHAOXLIO-UHFFFAOYSA-N
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Compound Information
Drug synonym:methylene chloride, methylene dichloride
Molecular Weight:84.933
Molecular Formula:CH2Cl2
SMILES:ClCCl
InChI:1S/CH2Cl2/c2-1-3/h1H2
InChIKey:YMWUJEATGCHHMB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:166.217
Molecular Formula:C10H14O2
SMILES:C[C@H]([C@H](O)CO)C1=CC=CC=C1
InChI:1S/C10H14O2/c1-8(10(12)7-11)9-5-3-2-4-6-9/h2-6,8,10-12H,7H2,1H3/t8-,10+/m0/s1
InChIKey:FAZRWYMHXGYVGX-WCBMZHEXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.1745
Molecular Formula:C9H10O2
SMILES:[H][C@@](C)(C(O)=O)C1=CC=CC=C1
InChI:1S/C9H10O2/c1-7(9(10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H,10,11)/t7-/m0/s1
InChIKey:YPGCWEMNNLXISK-ZETCQYMHSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:32.0419
Molecular Formula:CH4O
SMILES:CO
InChI:1S/CH4O/c1-2/h2H,1H3
InChIKey:OKKJLVBELUTLKV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:266.3328
Molecular Formula:C15H22O4
SMILES:CCCCC[C@@H](OC(=O)C1=CC=CC=C1)[C@@H](O)CO
InChI:1S/C15H22O4/c1-2-3-5-10-14(13(17)11-16)19-15(18)12-8-6-4-7-9-12/h4,6-9,13-14,16-17H,2-3,5,10-11H2,1H3/t13-,14+/m0/s1
InChIKey:ZADGHBNGSVLTAD-UONOGXRCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:250.2903
Molecular Formula:C14H18O4
SMILES:CCCCC[C@@H](OC(=O)C1=CC=CC=C1)C(O)=O
InChI:1S/C14H18O4/c1-2-3-5-10-12(13(15)16)18-14(17)11-8-6-4-7-9-11/h4,6-9,12H,2-3,5,10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKey:PBQPSEYLVRIDJC-GFCCVEGCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:112.1265
Molecular Formula:C6H8O2
SMILES:O=C1CCCCC1=O
InChI:1S/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-4H2
InChIKey:OILAIQUEIWYQPH-UHFFFAOYSA-N
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Compound Information
Drug synonym:Butanedioic acid
Molecular Weight:118.088
Molecular Formula:C4H6O4
SMILES:OC(=O)CCC(O)=O
InChI:1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
InChIKey:KDYFGRWQOYBRFD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.1146
Molecular Formula:C5H8O4
SMILES:OC(=O)CCCC(O)=O
InChI:1S/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
InChIKey:JFCQEDHGNNZCLN-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.4721
Molecular Formula:C19H34O2
SMILES:[H][C@@]12CC[C@@](C)(O)[C@H](CC[C@@H](O)C=C)[C@@]1(C)CCCC2(C)C
InChI:1S/C19H34O2/c1-6-14(20)8-9-16-18(4)12-7-11-17(2,3)15(18)10-13-19(16,5)21/h6,14-16,20-21H,1,7-13H2,2-5H3/t14-,15-,16+,18-,19+/m0/s1
InChIKey:TXIVQAMVBXJTCY-MQOOWTBDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:310.4284
Molecular Formula:C18H30O4
SMILES:[H][C@@]12CC[C@@](C)(OC(C)=O)[C@H](CC(O)=O)[C@@]1(C)CCCC2(C)C
InChI:1S/C18H30O4/c1-12(19)22-18(5)10-7-13-16(2,3)8-6-9-17(13,4)14(18)11-15(20)21/h13-14H,6-11H2,1-5H3,(H,20,21)/t13-,14+,17-,18+/m0/s1
InChIKey:XWPRKOUKBYLKPF-IHETXDGRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:220.3505
Molecular Formula:C15H24O
SMILES:[H][C@@]12C[C@]34C[C@@H](O[C@]3(CC[C@H]4C)C1(C)C)[C@H]2C
InChI:1S/C15H24O/c1-9-5-6-15-13(3,4)11-7-14(9,15)8-12(16-15)10(11)2/h9-12H,5-8H2,1-4H3/t9-,10+,11+,12-,14-,15-/m1/s1
InChIKey:CNGASSRYKVSIBI-ZLSAFIHNSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:236.3499
Molecular Formula:C15H24O2
SMILES:[H][C@@]12C[C@]34C[C@@H](O[C@]3(CC[C@H]4C)C1(C)C)[C@]2(C)O
InChI:1S/C15H24O2/c1-9-5-6-15-12(2,3)10-7-14(9,15)8-11(17-15)13(10,4)16/h9-11,16H,5-8H2,1-4H3/t9-,10-,11-,13-,14-,15-/m1/s1
InChIKey:WGBLFCZZEXKEMO-NNKNWFAJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:250.3334
Molecular Formula:C15H22O3
SMILES:C[C@@H]1CC[C@]23OC(=O)C[C@]12C[C@@H](C(C)=O)C3(C)C
InChI:1S/C15H22O3/c1-9-5-6-15-13(3,4)11(10(2)16)7-14(9,15)8-12(17)18-15/h9,11H,5-8H2,1-4H3/t9-,11+,14-,15-/m1/s1
InChIKey:UBPOHTJLIDRWIY-VNLRXTSXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:176.106
Molecular Formula:C12H21B
SMILES:[H]C12CCC[C@@]3([H])CCCC([H])(CCC1)B23
InChI:1S/C12H21B/c1-4-10-6-2-8-12-9-3-7-11(5-1)13(10)12/h10-12H,1-9H2/t10-,11-,12-
InChIKey:SKOKKTJRHJQZHK-AQHSTMNCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.2695
Molecular Formula:C12H18O3
SMILES:O=C1CCCC(=O)CCCC(=O)CCC1
InChI:1S/C12H18O3/c13-10-4-1-5-11(14)7-3-9-12(15)8-2-6-10/h1-9H2
InChIKey:LPIYDQORFFTRDE-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:82.0338
Molecular Formula:C2H3NaO2
SMILES:[Na+].CC([O-])=O
InChI:1S/C2H4O2.Na/c1-2(3)4;/h1H3,(H,3,4);/q;+1/p-1
InChIKey:VMHLLURERBWHNL-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:100.1589
Molecular Formula:C6H12O
SMILES:CC1CCC(C)O1
InChI:1S/C6H12O/c1-5-3-4-6(2)7-5/h5-6H,3-4H2,1-2H3
InChIKey:OXMIDRBAFOEOQT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1424
Molecular Formula:C6H10O2
SMILES:CC(=O)CCC(C)=O
InChI:1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3
InChIKey:OJVAMHKKJGICOG-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:168.2328
Molecular Formula:C10H16O2
SMILES:CC12CC(=O)C1C(C)(C)OCC2
InChI:1S/C10H16O2/c1-9(2)8-7(11)6-10(8,3)4-5-12-9/h8H,4-6H2,1-3H3
InChIKey:RYVHOZZVNCWOHU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:182.2164
Molecular Formula:C10H14O3
SMILES:CC12CC(=O)C1C(C)(C)OC(=O)C2
InChI:1S/C10H14O3/c1-9(2)8-6(11)4-10(8,3)5-7(12)13-9/h8H,4-5H2,1-3H3
InChIKey:JQAPKMLXUTUMEB-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:184.2322
Molecular Formula:C10H16O3
SMILES:CC12CC(=O)OC1C(C)(C)OCC2
InChI:1S/C10H16O3/c1-9(2)8-10(3,4-5-12-9)6-7(11)13-8/h8H,4-6H2,1-3H3
InChIKey:TXLCKWADNRACET-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:134.1751
Molecular Formula:C9H10O
SMILES:OC\C=C\C1=CC=CC=C1
InChI:1S/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2/b7-4+
InChIKey:OOCCDEMITAIZTP-QPJJXVBHSA-N
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Compound Information
Drug synonym:3‐Phenyl‐2‐propenoic acid, cinnamic acid, cinnamic acid
Molecular Weight:148.1586
Molecular Formula:C9H8O2
SMILES:OC(=O)\C=C\C1=CC=CC=C1
InChI:1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
InChIKey:WBYWAXJHAXSJNI-VOTSOKGWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:56.1056
Molecular Formula:HKO
SMILES:[K+].[O-][H]
InChI:1S/K.H2O/h;1H2/q+1;/p-1
InChIKey:KWYUFKZDYYNOTN-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:270.322
Molecular Formula:K2O8S2
SMILES:[K+].[K+].[O-]S(=O)(=O)OOS([O-])(=O)=O
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:190.2384
Molecular Formula:C12H14O2
SMILES:[H][C@]12[C@@]3([H])[C@]4([H])[C@@]1([H])[C@@]1([H])CO[C@]4(O)[C@@]4([H])[C@]3([H])C[C@]2([H])[C@@]14[H]
InChI:1S/C12H14O2/c13-12-10-4-1-3-6(10)5(2-14-12)9-7(3)8(4)11(9)12/h3-11,13H,1-2H2/t3-,4-,5+,6+,7+,8+,9+,10+,11-,12-/m1/s1
InChIKey:RVWSCWOBZWXUAC-IJXCPWHCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:204.2219
Molecular Formula:C12H12O3
SMILES:[H][C@]12[C@@]3([H])[C@]4([H])[C@@]1([H])[C@@]1([H])C(=O)O[C@]4(O)[C@@]4([H])[C@]3([H])C[C@]2([H])[C@@]14[H]
InChI:1S/C12H12O3/c13-11-8-5-2-1-3-6-4(2)7(8)10(6)12(14,15-11)9(3)5/h2-10,14H,1H2/t2-,3+,4-,5-,6-,7+,8-,9-,10+,12+/m0/s1
InChIKey:IASUPGZINCNFDM-OWSCUYIWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:39.9971
Molecular Formula:HNaO
SMILES:[Na+].[O-][H]
InChI:1S/Na.H2O/h;1H2/q+1;/p-1
InChIKey:HEMHJVSKTPXQMS-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:117.1463
Molecular Formula:C5H11NO2
SMILES:C[N+]1([O-])CCOCC1
InChI:1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey:LFTLOKWAGJYHHR-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:351.43
Molecular Formula:C12H28NO4Ru
SMILES:[O-][Ru](=O)(=O)=O.CCC[N+](CCC)(CCC)CCC
InChI:1S/C12H28N.4O.Ru/c1-5-9-13(10-6-2,11-7-3)12-8-4;;;;;/h5-12H2,1-4H3;;;;;/q+1;;;;-1;
InChIKey:NQSIKKSFBQCBSI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:180.2451
Molecular Formula:C14H12
SMILES:C(=C/C1=CC=CC=C1)\C1=CC=CC=C1
InChI:1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11+
InChIKey:PJANXHGTPQOBST-VAWYXSNFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.2445
Molecular Formula:C14H12O
SMILES:O1C(C1C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C14H12O/c1-3-7-11(8-4-1)13-14(15-13)12-9-5-2-6-10-12/h1-10,13-14H
InChIKey:ARCJQKUWGAZPFX-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.1839
Molecular Formula:C10H8N2
SMILES:C1=CN=C(C=C1)C1=NC=CC=C1
InChI:1S/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
InChIKey:ROFVEXUMMXZLPA-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:186.3342
Molecular Formula:C12H26O
SMILES:CCCCCCCCCCCCO
InChI:1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
InChIKey:LQZZUXJYWNFBMV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:184.3184
Molecular Formula:C12H24O
SMILES:CCCCCCCCCCCC=O
InChI:1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3
InChIKey:HFJRKMMYBMWEAD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:958.83
Molecular Formula:C54H45Cl2P3Ru
SMILES:Cl[Ru]Cl.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/3C18H15P.2ClH.Ru.4H/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h3*1-15H;2*1H;;;;;/q;;;;;+2;;;;/p-2
InChIKey:CIXUXELCFRTLMR-UHFFFAOYSA-L
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Compound Information
Drug synonym:Not Available
Molecular Weight:214.3443
Molecular Formula:C13H26O2
SMILES:CC(O)CCCCCCCC\C=C\CO
InChI:1S/C13H26O2/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h8,10,13-15H,2-7,9,11-12H2,1H3/b10-8+
InChIKey:HCHKHLQLPCQSQO-CSKARUKUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.3285
Molecular Formula:C13H24O2
SMILES:CC(O)CCCCCCCC\C=C\C=O
InChI:1S/C13H24O2/c1-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h8,10,12-13,15H,2-7,9,11H2,1H3/b10-8+
InChIKey:YMUOIYNRZFDDFI-CSKARUKUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.3769
Molecular Formula:C6H18O2Si2
SMILES:C[Si](C)(C)OO[Si](C)(C)C
InChI:1S/C6H18O2Si2/c1-9(2,3)7-8-10(4,5)6/h1-6H3
InChIKey:XPEMYYBBHOILIJ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:200.3178
Molecular Formula:C12H24O2
SMILES:O[C@@H]1CCCCCCCCCC[C@H]1O
InChI:1S/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2/t11-,12-/m1/s1
InChIKey:HAMFVYJFVXTJCJ-VXGBXAGGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:196.286
Molecular Formula:C12H20O2
SMILES:O=C1CCCCCCCCCCC1=O
InChI:1S/C12H20O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h1-10H2
InChIKey:OWWQGTRAKKFTAM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:146.1858
Molecular Formula:C10H10O
SMILES:CC(=O)\C=C\C1=CC=CC=C1
InChI:1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3/b8-7+
InChIKey:BWHOZHOGCMHOBV-BQYQJAHWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:C1CCOC1
InChI:1S/C4H8O/c1-2-4-5-3-1/h1-4H2
InChIKey:WYURNTSHIVDZCO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:178.2292
Molecular Formula:C14H10
SMILES:C1=CC=C(C=C1)C#CC1=CC=CC=C1
InChI:1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H
InChIKey:JRXXLCKWQFKACW-UHFFFAOYSA-N
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Compound Information
Drug synonym:benzil, dibenzoyl, diphenylethanedione, diphenylglyoxal
Molecular Weight:210.228
Molecular Formula:C14H10O2
SMILES:O=C(C(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/C14H10O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10H
InChIKey:WURBFLDFSFBTLW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:220.0078
Molecular Formula:C6H5IO
SMILES:O=[I]C1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:118.1742
Molecular Formula:C6H14O2
SMILES:CC(C)(CO)CCO
InChI:1S/C6H14O2/c1-6(2,5-8)3-4-7/h7-8H,3-5H2,1-2H3
InChIKey:GQSZUUPRBBBHRI-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:114.1424
Molecular Formula:C6H10O2
SMILES:CC1(C)COC(=O)C1
InChI:1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3
InChIKey:LZAKUZBAAQDJCF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:1152.23
Molecular Formula:C72H62P4Ru
SMILES:[H][Ru][H].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
InChI:1S/4C18H15P.Ru.6H/c4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;;;;;;/h4*1-15H;;;;;;;
InChIKey:SORUBCSKZRCDPL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:92.1384
Molecular Formula:C7H8
SMILES:CC1=CC=CC=C1
InChI:1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey:YXFVVABEGXRONW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:132.2007
Molecular Formula:C7H16O2
SMILES:CC(C)(CO)CCCO
InChI:1S/C7H16O2/c1-7(2,6-9)4-3-5-8/h8-9H,3-6H2,1-2H3
InChIKey:QQOJDTOGFYCSAU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:128.169
Molecular Formula:C7H12O2
SMILES:CC1(C)CCC(=O)OC1
InChI:1S/C7H12O2/c1-7(2)4-3-6(8)9-5-7/h3-5H2,1-2H3
InChIKey:KCNWLXKETMYSEK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:72.1057
Molecular Formula:C4H8O
SMILES:CCCC=O
InChI:1S/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
InChIKey:ZTQSAGDEMFDKMZ-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:88.1482
Molecular Formula:C5H12O
SMILES:CCCCCO
InChI:1S/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
InChIKey:AMQJEAYHLZJPGS-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:144.2114
Molecular Formula:C8H16O2
SMILES:CCCCOC(=O)CCC
InChI:1S/C8H16O2/c1-3-5-7-10-8(9)6-4-2/h3-7H2,1-2H3
InChIKey:XUPYJHCZDLZNFP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:44.0526
Molecular Formula:C2H4O
SMILES:CC=O
InChI:1S/C2H4O/c1-2-3/h2H,1H3
InChIKey:IKHGUXGNUITLKF-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:ethanoic acid
Molecular Weight:60.052
Molecular Formula:C2H4O2
SMILES:CC(O)=O
InChI:1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)
InChIKey:QTBSBXVTEAMEQO-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.726
Molecular Formula:C13H17ClO
SMILES:CC[C@@H]1C[C@H](Cl)C[C@@H](O1)C1=CC=CC=C1
InChI:1S/C13H17ClO/c1-2-12-8-11(14)9-13(15-12)10-6-4-3-5-7-10/h3-7,11-13H,2,8-9H2,1H3/t11-,12+,13+/m0/s1
InChIKey:RHUGXGWFUWBLEB-YNEHKIRRSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:238.71
Molecular Formula:C13H15ClO2
SMILES:CCC(=O)CC(Cl)CC(=O)C1=CC=CC=C1
InChI:1S/C13H15ClO2/c1-2-12(15)8-11(14)9-13(16)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3
InChIKey:LYIHXFFPQCFGRP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:192.64
Molecular Formula:C8H13ClO3
SMILES:CC[C@@H]1C[C@H](Cl)C[C@@H](O1)C(O)=O
InChI:1S/C8H13ClO3/c1-2-6-3-5(9)4-7(12-6)8(10)11/h5-7H,2-4H2,1H3,(H,10,11)/t5-,6+,7+/m0/s1
InChIKey:NTOFHCIMSSHPLA-RRKCRQDMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:140.1797
Molecular Formula:C8H12O2
SMILES:CC(=O)OC1CCCC=C1
InChI:1S/C8H12O2/c1-7(9)10-8-5-3-2-4-6-8/h3,5,8H,2,4,6H2,1H3
InChIKey:MQNAWGURFBPDMW-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1944
Molecular Formula:C8H14O4
SMILES:CC(=O)O[C@H]1CCC[C@H](O)[C@@H]1O
InChI:1S/C8H14O4/c1-5(9)12-7-4-2-3-6(10)8(7)11/h6-8,10-11H,2-4H2,1H3/t6-,7-,8-/m0/s1
InChIKey:PWBFTKWRAXFTLR-FXQIFTODSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.1944
Molecular Formula:C8H14O4
SMILES:CC(=O)O[C@H]1CCC[C@@H](O)[C@H]1O
InChI:1S/C8H14O4/c1-5(9)12-7-4-2-3-6(10)8(7)11/h6-8,10-11H,2-4H2,1H3/t6-,7+,8-/m1/s1
InChIKey:PWBFTKWRAXFTLR-GJMOJQLCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:224.2976
Molecular Formula:C16H16O
SMILES:C(OCC1=CC=CC=C1)\C=C\C1=CC=CC=C1
InChI:1S/C16H16O/c1-3-8-15(9-4-1)12-7-13-17-14-16-10-5-2-6-11-16/h1-12H,13-14H2/b12-7+
InChIKey:QIKWSZVCLSUYAU-KPKJPENVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.3123
Molecular Formula:C16H18O3
SMILES:O[C@H](COCC1=CC=CC=C1)[C@H](O)C1=CC=CC=C1
InChI:1S/C16H18O3/c17-15(16(18)14-9-5-2-6-10-14)12-19-11-13-7-3-1-4-8-13/h1-10,15-18H,11-12H2/t15-,16-/m1/s1
InChIKey:NQXLVXJYEYNARO-HZPDHXFCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:98.078
Molecular Formula:H2O4S
SMILES:OS(O)(=O)=O
InChI:1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
InChIKey:QAOWNCQODCNURD-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.2915
Molecular Formula:C14H18O2
SMILES:CC1(C)COC(OC1)\C=C\C1=CC=CC=C1
InChI:1S/C14H18O2/c1-14(2)10-15-13(16-11-14)9-8-12-6-4-3-5-7-12/h3-9,13H,10-11H2,1-2H3/b9-8+
InChIKey:RYURQFKFHVTVFW-CMDGGOBGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:252.3062
Molecular Formula:C14H20O4
SMILES:CC1(C)COC(OC1)[C@@H](O)[C@H](O)C1=CC=CC=C1
InChI:1S/C14H20O4/c1-14(2)8-17-13(18-9-14)12(16)11(15)10-6-4-3-5-7-10/h3-7,11-13,15-16H,8-9H2,1-2H3/t11-,12+/m1/s1
InChIKey:LWZOZQRZDKRIMC-NEPJUHHUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:187.1947
Molecular Formula:C11H9NO2
SMILES:O=C1C=CC(=O)N1CC1=CC=CC=C1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:221.2093
Molecular Formula:C11H11NO4
SMILES:O[C@H]1[C@@H](O)C(=O)N(CC2=CC=CC=C2)C1=O
InChI:1S/C11H11NO4/c13-8-9(14)11(16)12(10(8)15)6-7-4-2-1-3-5-7/h1-5,8-9,13-14H,6H2/t8-,9+
InChIKey:IZBMPGFJNIDMRR-DTORHVGOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.335
Molecular Formula:C15H14O2S
SMILES:[H]C(\C=C\C1=CC=C([H])C=C1)S(=O)(=O)C1=CC=CC=C1
InChI:1S/C15H14O2S/c16-18(17,15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h1-12H,13H2/b10-7+
InChIKey:AWOQCRQDXFVJPL-JXMROGBWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:290.334
Molecular Formula:C15H14O4S
SMILES:OC(CS(=O)(=O)C1=CC=CC=C1)C(=O)C1=CC=CC=C1
InChI:1S/C15H14O4S/c16-14(15(17)12-7-3-1-4-8-12)11-20(18,19)13-9-5-2-6-10-13/h1-10,14,16H,11H2
InChIKey:BJCNXKOWJPVYAU-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:614.765
Molecular Formula:H3K5O18S4
SMILES:[K+].[K+].[K+].[K+].[K+].OS([O-])(=O)=O.[O-]S([O-])(=O)=O.OS(=O)(=O)O[O-].OS(=O)(=O)O[O-]
InChI:1S/5K.2H2O5S.2H2O4S/c;;;;;2*1-5-6(2,3)4;2*1-5(2,3)4/h;;;;;2*1H,(H,2,3,4);2*(H2,1,2,3,4)/q5*+1;;;;/p-5
InChIKey:HJKYXKSLRZKNSI-UHFFFAOYSA-I
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Compound Information
Drug synonym:Not Available
Molecular Weight:84.0066
Molecular Formula:CHNaO3
SMILES:[Na+].OC([O-])=O
InChI:1S/CH2O3.Na/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
InChIKey:UIIMBOGNXHQVGW-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:318.836
Molecular Formula:C16H27ClO4
SMILES:[H][C@]12O[C@H](OC)C(Cl)=C(CCCCCC[C@H]1OC)[C@H]2COC
InChI:1S/C16H27ClO4/c1-18-10-12-11-8-6-4-5-7-9-13(19-2)15(12)21-16(20-3)14(11)17/h12-13,15-16H,4-10H2,1-3H3/t12-,13-,15-,16+/m1/s1
InChIKey:POWUMQUAEMLUEU-XOUADPBQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:316.3899
Molecular Formula:C16H28O6
SMILES:[H][C@]12O[C@H](OC)C(=O)[C@](O)(CCCCCC[C@H]1OC)[C@H]2COC
InChI:1S/C16H28O6/c1-19-10-11-13-12(20-2)8-6-4-5-7-9-16(11,18)14(17)15(21-3)22-13/h11-13,15,18H,4-10H2,1-3H3/t11-,12+,13+,15-,16-/m0/s1
InChIKey:CKJZRGKHBIFGQM-QPHFJENPSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:210.2265
Molecular Formula:C11H14O4
SMILES:CC(=O)OC[C@H](O)[C@@H](O)C1=CC=CC=C1
InChI:1S/C11H14O4/c1-8(12)15-7-10(13)11(14)9-5-3-2-4-6-9/h2-6,10-11,13-14H,7H2,1H3/t10-,11-/m0/s1
InChIKey:MZZGERZNIQSTPD-QWRGUYRKSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:208.2106
Molecular Formula:C11H12O4
SMILES:CC(=O)OC[C@H](O)C(=O)C1=CC=CC=C1
InChI:1S/C11H12O4/c1-8(12)15-7-10(13)11(14)9-5-3-2-4-6-9/h2-6,10,13H,7H2,1H3/t10-/m0/s1
InChIKey:UAMWUVMMYBJOBP-JTQLQIEISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:108.1809
Molecular Formula:C8H12
SMILES:C1C\C=C/CC\C=C/1
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:156.1791
Molecular Formula:C8H12O3
SMILES:O[C@H]1CCC(=O)[C@@H]2CC[C@H]1O2
InChI:1S/C8H12O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5,7-9H,1-4H2/t5-,7+,8-/m0/s1
InChIKey:UVMYZLXXZLNUTK-ARDNSNSESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:124.2233
Molecular Formula:C9H16
SMILES:CC(C)=CCCCC=C
InChI:1S/C9H16/c1-4-5-6-7-8-9(2)3/h4,8H,1,5-7H2,2-3H3
InChIKey:UCKITPBQPGXDHV-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:174.2374
Molecular Formula:C9H18O3
SMILES:[H][C@]1(CO)CCC[C@@]([H])(O1)C(C)(C)O
InChI:1S/C9H18O3/c1-9(2,11)8-5-3-4-7(6-10)12-8/h7-8,10-11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKey:FVILDOVOAXZMLA-HTQZYQBOSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:110.1968
Molecular Formula:C8H14
SMILES:CC(=C)CCC(C)=C
InChI:1S/C8H14/c1-7(2)5-6-8(3)4/h1,3,5-6H2,2,4H3
InChIKey:DSAYAFZWRDYBQY-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:160.2108
Molecular Formula:C8H16O3
SMILES:C[C@@]1(CO)CC[C@](C)(CO)O1
InChI:1S/C8H16O3/c1-7(5-9)3-4-8(2,6-10)11-7/h9-10H,3-6H2,1-2H3/t7-,8+
InChIKey:MBEDSGGLKPENPR-OCAPTIKFSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:360.4458
Molecular Formula:C17H32N2O6
SMILES:COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI:1S/C17H32N2O6/c1-16(2,3)24-14(21)18-11-9-8-10-12(13(20)23-7)19-15(22)25-17(4,5)6/h12H,8-11H2,1-7H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKey:WLPJOHSPBBUIQG-LBPRGKRZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:374.4293
Molecular Formula:C17H30N2O7
SMILES:COC(=O)[C@H](CCCC(=O)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C
InChI:1S/C17H30N2O7/c1-16(2,3)25-14(22)18-11(13(21)24-7)9-8-10-12(20)19-15(23)26-17(4,5)6/h11H,8-10H2,1-7H3,(H,18,22)(H,19,20,23)/t11-/m0/s1
InChIKey:HHJXQINMWZUONV-NSHDSACASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:150.892
Molecular Formula:BrNaO3
SMILES:[Na+].[O-][Br](=O)=O
InChI:1S/BrHO3.Na/c2-1(3)4;/h(H,2,3,4);/q;+1/p-1
InChIKey:XUXNAKZDHHEHPC-UHFFFAOYSA-M
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Compound Information
Drug synonym:Not Available
Molecular Weight:122.2075
Molecular Formula:C9H14
SMILES:C1CC11CC2CCC1C2
InChI:1S/C9H14/c1-2-8-5-7(1)6-9(8)3-4-9/h7-8H,1-6H2
InChIKey:LMWNLUONWYANKL-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:136.191
Molecular Formula:C9H12O
SMILES:O=C1C2CCC(C2)C11CC1
InChI:1S/C9H12O/c10-8-6-1-2-7(5-6)9(8)3-4-9/h6-7H,1-5H2
InChIKey:ZYFYCMULISNLFT-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:309.241
Molecular Formula:C16H21BrO
SMILES:[H][C@@]12C[C@]1(C)[C@@](C)(CC2)C1=CC(Br)=C(C)C=C1OC
InChI:1S/C16H21BrO/c1-10-7-14(18-4)12(8-13(10)17)15(2)6-5-11-9-16(11,15)3/h7-8,11H,5-6,9H2,1-4H3/t11-,15+,16+/m1/s1
InChIKey:GERPFZCUTZWLIG-RLCCDNCMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:323.225
Molecular Formula:C16H19BrO2
SMILES:COC1=CC(C)=C(Br)C=C1[C@]1(C)CCC(=O)C=C1C
InChI:1S/C16H19BrO2/c1-10-7-15(19-4)13(9-14(10)17)16(3)6-5-12(18)8-11(16)2/h7-9H,5-6H2,1-4H3/t16-/m1/s1
InChIKey:YZEAJUPJSRAXGL-MRXNPFEDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:327.3743
Molecular Formula:C19H21NO4
SMILES:[H][C@]12C[C@]([H])(C=C1)[C@]1([H])[C@H](N(C[C@]21[H])C(=O)OCC1=CC=CC=C1)C(=O)OC
InChI:1S/C19H21NO4/c1-23-18(21)17-16-14-8-7-13(9-14)15(16)10-20(17)19(22)24-11-12-5-3-2-4-6-12/h2-8,13-17H,9-11H2,1H3/t13-,14+,15-,16+,17+/m1/s1
InChIKey:MDWFXIBCDHKQNE-ALYAQQCSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:391.3719
Molecular Formula:C19H21NO8
SMILES:[H][C@]12CN([C@H](C(=O)OC)[C@@]1([H])[C@H](C[C@H]2C(O)=O)C(O)=O)C(=O)OCC1=CC=CC=C1
InChI:1S/C19H21NO8/c1-27-18(25)15-14-12(17(23)24)7-11(16(21)22)13(14)8-20(15)19(26)28-9-10-5-3-2-4-6-10/h2-6,11-15H,7-9H2,1H3,(H,21,22)(H,23,24)/t11-,12+,13-,14+,15+/m1/s1
InChIKey:ULBWXZJTBFUWMY-SEBNEYGDSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:94.1543
Molecular Formula:C7H10
SMILES:C1CC2CC1C=C2
InChI:1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
InChIKey:JFNLZVQOOSMTJK-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:126.1531
Molecular Formula:C7H10O2
SMILES:[H][C@@]1(CC[C@]([H])(C1)C=O)C=O
InChI:1S/C7H10O2/c8-4-6-1-2-7(3-6)5-9/h4-7H,1-3H2/t6-,7+
InChIKey:JWWOLXQVNVCQSJ-KNVOCYPGSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:216.2756
Molecular Formula:C14H16O2
SMILES:CC1CCC2=CC3=C(OCC(=C)CO3)C=C12
InChI:1S/C14H16O2/c1-9-7-15-13-5-11-4-3-10(2)12(11)6-14(13)16-8-9/h5-6,10H,1,3-4,7-8H2,2H3
InChIKey:FJVFGCAZQQCDGM-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:218.2485
Molecular Formula:C13H14O3
SMILES:CC1CCC2=CC3=C(OCC(=O)CO3)C=C12
InChI:1S/C13H14O3/c1-8-2-3-9-4-12-13(5-11(8)9)16-7-10(14)6-15-12/h4-5,8H,2-3,6-7H2,1H3
InChIKey:CPMKLLFIQWBDNP-UHFFFAOYSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:312.3582
Molecular Formula:C16H24O6
SMILES:[H][C@]12O[C@@H](OC)[C@]3([H])CCCCCC1C(C(=O)OC)[C@]23C(=O)OC
InChI:1S/C16H24O6/c1-19-13(17)11-9-7-5-4-6-8-10-14(20-2)22-12(9)16(10,11)15(18)21-3/h9-12,14H,4-8H2,1-3H3/t9?,10-,11?,12-,14+,16-/m0/s1
InChIKey:FFXGZLWZSPGXPG-ZNXBVENESA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:342.3411
Molecular Formula:C16H22O8
SMILES:[H][C@]12CCCCCC(=O)[C@]([H])(O[C@H]1OC)[C@@]2(C(=O)OC)C(=O)C(=O)OC
InChI:1S/C16H22O8/c1-21-13(19)11(18)16(15(20)23-3)9-7-5-4-6-8-10(17)12(16)24-14(9)22-2/h9,12,14H,4-8H2,1-3H3/t9-,12-,14+,16-/m0/s1
InChIKey:TYQLKBJJZBAVRN-MQQCTCJLSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:212.3285
Molecular Formula:C13H24O2
SMILES:[H][C@]12C[C@@H](CC[C@@]1(O)[C@@H](C)CO2)C(C)(C)C
InChI:1S/C13H24O2/c1-9-8-15-11-7-10(12(2,3)4)5-6-13(9,11)14/h9-11,14H,5-8H2,1-4H3/t9-,10+,11-,13+/m0/s1
InChIKey:KVNZHVCFNAWXPT-SRRSOLGSSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:226.312
Molecular Formula:C13H22O3
SMILES:C[C@H]1COC(=O)C[C@@H](CCC1=O)C(C)(C)C
InChI:1S/C13H22O3/c1-9-8-16-12(15)7-10(13(2,3)4)5-6-11(9)14/h9-10H,5-8H2,1-4H3/t9-,10+/m0/s1
InChIKey:VGCBWTJZNYCDIU-VHSXEESVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.3554
Molecular Formula:C17H22O2
SMILES:CC(C)=CCC\C(C)=C\COC(=O)c1ccccc1
InChI:1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12+
InChIKey:YDVXYTIIPGKIJP-NTCAYCPXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:308.3695
Molecular Formula:C17H24O5
SMILES:CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H](O)COC(=O)c1ccccc1
InChI:1S/C17H24O5/c1-16(2,20)14-9-10-17(3,22-14)13(18)11-21-15(19)12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/t13-,14+,17-/m1/s1
InChIKey:GRILYWKJXKJAIK-JKIFEVAISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:308.3695
Molecular Formula:C17H24O5
SMILES:CC(C)(O)[C@H]1CC[C@@](C)(O1)[C@H](O)COC(=O)c1ccccc1
InChI:1S/C17H24O5/c1-16(2,20)14-9-10-17(3,22-14)13(18)11-21-15(19)12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/t13-,14-,17-/m1/s1
InChIKey:GRILYWKJXKJAIK-CKEIUWERSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:306.3536
Molecular Formula:C17H22O5
SMILES:CC(C)(O)[C@@H]1CC[C@@](C)(O1)C(=O)COC(=O)c1ccccc1
InChI:1S/C17H22O5/c1-16(2,20)14-9-10-17(3,22-14)13(18)11-21-15(19)12-7-5-4-6-8-12/h4-8,14,20H,9-11H2,1-3H3/t14-,17+/m0/s1
InChIKey:CSYJORXAQZRKHX-WMLDXEAASA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:258.3554
Molecular Formula:C17H22O2
SMILES:CC(C)=CCC\C(C)=C/COC(=O)c1ccccc1
InChI:1S/C17H22O2/c1-14(2)8-7-9-15(3)12-13-19-17(18)16-10-5-4-6-11-16/h4-6,8,10-12H,7,9,13H2,1-3H3/b15-12-
InChIKey:YDVXYTIIPGKIJP-QINSGFPZSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:308.3695
Molecular Formula:C17H24O5
SMILES:CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@@H](O)COC(=O)c1ccccc1
InChI:1S/C17H24O5/c1-16(2,20)14-9-10-17(3,22-14)13(18)11-21-15(19)12-7-5-4-6-8-12/h4-8,13-14,18,20H,9-11H2,1-3H3/t13-,14-,17+/m0/s1
InChIKey:GRILYWKJXKJAIK-GRDNDAEWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:244.3288
Molecular Formula:C16H20O2
SMILES:CC\C=C/CC\C=C\COC(=O)c1ccccc1
InChI:1S/C16H20O2/c1-2-3-4-5-6-7-11-14-18-16(17)15-12-9-8-10-13-15/h3-4,7-13H,2,5-6,14H2,1H3/b4-3-,11-7+
InChIKey:ANQYQSIVHRJDCJ-CCBPTBINSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:294.3429
Molecular Formula:C16H22O5
SMILES:CC[C@@H](O)[C@@H]1CC[C@@H](O1)[C@H](O)COC(=O)c1ccccc1
InChI:1S/C16H22O5/c1-2-12(17)14-8-9-15(21-14)13(18)10-20-16(19)11-6-4-3-5-7-11/h3-7,12-15,17-18H,2,8-10H2,1H3/t12-,13-,14+,15-/m1/s1
InChIKey:AXXFCCXWICPHRQ-APIJFGDWSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:226.2689
Molecular Formula:C12H18O4
SMILES:CCOC(=O)\C=C\CC\C=C\C(=O)OCC
InChI:1S/C12H18O4/c1-3-15-11(13)9-7-5-6-8-10-12(14)16-4-2/h7-10H,3-6H2,1-2H3/b9-7+,10-8+
InChIKey:VTZHQBVCIAKCLX-FIFLTTCUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:276.283
Molecular Formula:C12H20O7
SMILES:CCOC(=O)[C@@H](O)[C@H]1CC[C@H](O1)[C@@H](O)C(=O)OCC
InChI:1S/C12H20O7/c1-3-17-11(15)9(13)7-5-6-8(19-7)10(14)12(16)18-4-2/h7-10,13-14H,3-6H2,1-2H3/t7-,8+,9+,10-
InChIKey:WPGDWPRPLKVQNW-FIRGSJFUSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:Not Available
Molecular Formula:Not Available
SMILES:Not Available
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:564.8797
Molecular Formula:C35H64O5
SMILES:[H][C@]1(CC[C@@]([H])(O1)[C@H](O)CCCCCCCCCCCCC1=C[C@H](C)OC1=O)[C@@H](O)CCCCCCCCCCCC
InChI:1S/C35H64O5/c1-3-4-5-6-7-8-12-15-18-21-24-31(36)33-26-27-34(40-33)32(37)25-22-19-16-13-10-9-11-14-17-20-23-30-28-29(2)39-35(30)38/h28-29,31-34,36-37H,3-27H2,1-2H3/t29-,31-,32+,33-,34+/m0/s1
InChIKey:RBSBTRALZZSVBA-DIPXFSDISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:326.4724
Molecular Formula:C22H30O2
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\COC(=O)c1ccccc1
InChI:1S/C22H30O2/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-24-22(23)21-14-6-5-7-15-21/h5-7,10,12,14-16H,8-9,11,13,17H2,1-4H3/b19-12+,20-16+
InChIKey:IBDUXGXSPANFLU-YEFHWUCQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:376.4865
Molecular Formula:C22H32O5
SMILES:C\C(CC[C@H](O)[C@]1(C)CC[C@@H](O1)C(C)(C)O)=C/COC(=O)c1ccccc1
InChI:1S/C22H32O5/c1-16(13-15-26-20(24)17-8-6-5-7-9-17)10-11-18(23)22(4)14-12-19(27-22)21(2,3)25/h5-9,13,18-19,23,25H,10-12,14-15H2,1-4H3/b16-13+/t18-,19+,22-/m0/s1
InChIKey:RUVNRLJBPVYJCJ-JDONLOHQSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:374.4706
Molecular Formula:C22H30O5
SMILES:C\C(CCC(=O)[C@]1(C)CC[C@@H](O1)C(C)(C)O)=C/COC(=O)c1ccccc1
InChI:1S/C22H30O5/c1-16(13-15-26-20(24)17-8-6-5-7-9-17)10-11-18(23)22(4)14-12-19(27-22)21(2,3)25/h5-9,13,19,25H,10-12,14-15H2,1-4H3/b16-13+/t19-,22+/m1/s1
InChIKey:HEFRCZXXBNWONZ-KSBSASGMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:410.5012
Molecular Formula:C22H34O7
SMILES:CC(C)(O)[C@H]1CC[C@](C)(O1)[C@@H](O)CCC(C)(O)C(O)COC(=O)c1ccccc1
InChI:1S/C22H34O7/c1-20(2,26)18-11-13-22(4,29-18)16(23)10-12-21(3,27)17(24)14-28-19(25)15-8-6-5-7-9-15/h5-9,16-18,23-24,26-27H,10-14H2,1-4H3/t16-,17?,18+,21?,22-/m0/s1
InChIKey:RBBIRXXWWKQGCN-DJNDAQIISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:264.403
Molecular Formula:C17H28O2
SMILES:[CH3:12][C:15]([CH3:13])=[CH:14][CH2:6][CH2:5]\[C:4]([CH3:16])=[CH:3]\[CH2:1][CH2:2]\[C:8]([CH3:9])=[CH:7]\[CH2:11][O:10][C:17]([CH3:18])=[O:19]
InChI:1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
InChIKey:ZGIGZINMAOQWLX-NCZFFCEISA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:330.4165
Molecular Formula:C17H30O6
SMILES:CC(=O)OC[C@@H](O)[C@@]1(C)CC[C@H](O1)[C@]1(C)CC[C@@H](O1)C(C)(C)O
InChI:1S/C17H30O6/c1-11(18)21-10-12(19)16(4)8-7-14(23-16)17(5)9-6-13(22-17)15(2,3)20/h12-14,19-20H,6-10H2,1-5H3/t12-,13-,14+,16-,17+/m1/s1
InChIKey:CRKVUXUHXNMBBE-WDTWZTHCSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:332.52
Molecular Formula:C22H36O2
SMILES:CC(C)=CCC\C=C(/C)CC\C(C)=C\CC\C(C)=C\COC(C)=O
InChI:1S/C22H36O2/c1-18(2)10-7-8-11-19(3)14-15-20(4)12-9-13-21(5)16-17-24-22(6)23/h10-12,16H,7-9,13-15,17H2,1-6H3/b19-11+,20-12+,21-16+
InChIKey:ORUDQPIJDIUFLS-AZMGESJMSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:414.5329
Molecular Formula:C22H38O7
SMILES:CC(=O)OC[C@@H](O)[C@@]1(C)CC[C@@H](O1)[C@@]1(C)CC[C@H](O1)[C@]1(C)CC[C@@H](O1)C(C)(C)O
InChI:1S/C22H38O7/c1-14(23)26-13-15(24)20(4)10-8-17(28-20)22(6)12-9-18(29-22)21(5)11-7-16(27-21)19(2,3)25/h15-18,24-25H,7-13H2,1-6H3/t15-,16-,17-,18+,20-,21+,22-/m1/s1
InChIKey:SMMJJHIMPYYWDE-JEJUZZDKSA-N
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Compound Information
Drug synonym:squalene
Molecular Weight:410.718
Molecular Formula:C30H50
SMILES:CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC=C(C)C
InChI:Not Available
InChIKey:Not Available
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Compound Information
Drug synonym:Not Available
Molecular Weight:524.7297
Molecular Formula:C30H52O7
SMILES:CC(C)(O)[C@H]1CC[C@](C)(O1)[C@@H]1CC[C@@](C)(O1)[C@H]1CC[C@H](O1)[C@@]1(C)CC[C@@H](O1)[C@@]1(C)CC[C@@H](O1)C(C)(C)O
InChI:1S/C30H52O7/c1-25(2,31)19-11-15-29(7,34-19)23-13-17-27(5,36-23)21-9-10-22(33-21)28(6)18-14-24(37-28)30(8)16-12-20(35-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21-,22+,23+,24-,27-,28-,29+,30-/m1/s1
InChIKey:DWONOXFOBHHPGV-MXTIKXRVSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:274.484
Molecular Formula:C20H34
SMILES:CC(C)=CCC\C(C)=C\CC\C=C(/C)CCC=C(C)C
InChI:1S/C20H34/c1-17(2)11-9-15-19(5)13-7-8-14-20(6)16-10-12-18(3)4/h11-14H,7-10,15-16H2,1-6H3/b19-13+,20-14+
InChIKey:UXUPDBJCOQWXPC-IWGRKNQJSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:356.4968
Molecular Formula:C20H36O5
SMILES:CC(C)(O)[C@H]1CC[C@@](C)(O1)[C@H]1CC[C@@H](O1)[C@@]1(C)CC[C@H](O1)C(C)(C)O
InChI:1S/C20H36O5/c1-17(2,21)13-9-11-19(5,24-13)15-7-8-16(23-15)20(6)12-10-14(25-20)18(3,4)22/h13-16,21-22H,7-12H2,1-6H3/t13-,14+,15-,16-,19-,20-/m1/s1
InChIKey:RWTJAWXRNLZFQP-QETMQDACSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:356.4968
Molecular Formula:C20H36O5
SMILES:CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1CC[C@@H](O1)[C@@]1(C)CC[C@H](O1)C(C)(C)O
InChI:1S/C20H36O5/c1-17(2,21)13-9-11-19(5,24-13)15-7-8-16(23-15)20(6)12-10-14(25-20)18(3,4)22/h13-16,21-22H,7-12H2,1-6H3/t13-,14-,15+,16+,19+,20+/m0/s1
InChIKey:RWTJAWXRNLZFQP-MBLGUKAXSA-N
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Compound Information
Drug synonym:Not Available
Molecular Weight:312.4012
Molecular Formula:C17H28O5
SMILES:CC(C)(O)[C@@H]1CC[C@@](C)(O1)[C@H]1CC[C@@H](O1)[C@@]1(C)CCC(=O)O1
InChI:1S/C17H28O5/c1-15(2,19)11-7-9-16(3,21-11)12-5-6-13(20-12)17(4)10-8-14(18)22-17/h11-13,19H,5-10H2,1-4H3/t11-,12+,13+,16+,17+/m0/s1
InChIKey:VSMOQVXIYRFJHQ-WHIHSWRWSA-N
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