Standard Article

Analytical Aspects of Phenolic Compounds

Phenols (2003)

  1. Jacob Zabicky

Published Online: 15 DEC 2009

DOI: 10.1002/9780470682531.pat0289

Patai's Chemistry of Functional Groups

Patai's Chemistry of Functional Groups

How to Cite

Zabicky, J. 2009. Analytical Aspects of Phenolic Compounds. Patai's Chemistry of Functional Groups. .

Author Information

  1. Institutes for Applied Research, Ben-Gurion University of the Negev, Beer-Sheva, Israel

Publication History

  1. Published Online: 15 DEC 2009

Abstract

  • 1
    Introduction
  • 2
    Gas Chromatography
  • 3
    Liquid Chromatography
  • 4
    Electrophoresis
  • 5
    Biosensors
  • 6
    Electrochemical Methods
  • 7
    Ultraviolet-Visible Detection Methods
  • 8
    Infrared and Raman Spectral Methods
  • 9
    Nuclear Magnetic Resonance
  • 10
    Mass Spectrometry
  • 11
    Miscellaneous Methods

Keywords:

  • quantitative structure–toxicity models;
  • limits of detection and quantation (LOD, LOQ);
  • gas chromatography;
  • graphitized carbon black (GCB);
  • supercritical fluid extraction (SFE) using carbon dioxide;
  • silylation - aiding phenolic compound volatilization;
  • atomic emission detector (AED) coupled to GC;
  • capillary electrophoresis (CE) analysis

Featured Compounds

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  1. 1 - 250
Compound 1
Molecular Weight:195.2151
Molecular Formula:C10H13NO3
InChIKey:VUNPIAMEJXBAFP-QMMMGPOBSA-N
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Compound 2
Molecular Weight:290.2681
Molecular Formula:C15H14O6
InChIKey:PFTAWBLQPZVEMU-UKRRQHHQSA-N
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Compound 3
Molecular Weight:290.2681
Molecular Formula:C15H14O6
InChIKey:PFTAWBLQPZVEMU-DZGCQCFKSA-N
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Compound 4
Molecular Weight:270.2369
Molecular Formula:C15H10O5
InChIKey:KZNIFHPLKGYRTM-UHFFFAOYSA-N
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Compound 5
Molecular Weight:272.2528
Molecular Formula:C15H12O5
InChIKey:FTVWIRXFELQLPI-UHFFFAOYSA-N
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Compound 6
Molecular Weight:286.2363
Molecular Formula:C15H10O6
InChIKey:IYRMWMYZSQPJKC-UHFFFAOYSA-N
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Compound 7
Molecular Weight:636.4687
Molecular Formula:C27H24O18
InChIKey:RNKMOGIPOMVCHO-ZKKDTZJNSA-N
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Compound 8
Molecular Weight:170.1195
Molecular Formula:C7H6O5
InChIKey:LNTHITQWFMADLM-UHFFFAOYSA-N
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Compound 25
Molecular Weight:180.1574
Molecular Formula:C9H8O4
InChIKey:QAIPRVGONGVQAS-DUXPYHPUSA-N
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Compound 9
Molecular Weight:272.2512
Molecular Formula:C12H16O7
InChIKey:BJRNKVDFDLYUGJ-RMPHRYRLSA-N
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Compound 10a
Molecular Weight:153.1784
Molecular Formula:C8H11NO2
InChIKey:VYFYYTLLBUKUHU-UHFFFAOYSA-N
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Compound 10b
Molecular Weight:197.1879
Molecular Formula:C9H11NO4
InChIKey:WTDRDQBEARUVNC-UHFFFAOYSA-N
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Compound 11
Molecular Weight:270.3661
Molecular Formula:C18H22O2
InChIKey:DNXHEGUUPJUMQT-GUZDXLFXSA-N
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Compound 12
Molecular Weight:776.87
Molecular Formula:C15H11I4NO4
InChIKey:BLIIPZHJARJLOZ-UHFFFAOYSA-N
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Compound 148
Molecular Weight:151.1626
Molecular Formula:C8H9NO2
InChIKey:RZVAJINKPMORJF-UHFFFAOYSA-N
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Compound 13
Molecular Weight:363.388
Molecular Formula:C16H17N3O5S
InChIKey:BOEGTKLJZSQCCD-UEKVPHQBSA-N
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Compound 14
Molecular Weight:667.649
Molecular Formula:C25H26N9NaO8S2
InChIKey:NCFTXMQPRQZFMZ-WERGMSTESA-M
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Compound 15a
Molecular Weight:183.2044
Molecular Formula:C9H13NO3
InChIKey:UCTWMZQNUQWSLP-VIFPVBQESA-N
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Compound 16
Molecular Weight:331.2983
Molecular Formula:C20H12O5
InChIKey:Not Available
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Compound 17
Molecular Weight:108.1378
Molecular Formula:C7H8O
InChIKey:RLSSMJSEOOYNOY-UHFFFAOYSA-N
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Compound 72c
Molecular Weight:108.1378
Molecular Formula:C7H8O
InChIKey:RLSSMJSEOOYNOY-UHFFFAOYSA-N
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Compound 18
Molecular Weight:285.3377
Molecular Formula:C17H19NO3
InChIKey:BQJCRHHNABKAKU-KBQPJGBKSA-N
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Compound 15b
Molecular Weight:169.1778
Molecular Formula:C8H11NO3
InChIKey:SFLSHLFXELFNJZ-QMMMGPOBSA-N
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Compound 19
Molecular Weight:318.3228
Molecular Formula:C20H14O4
InChIKey:KJFMBFZCATUALV-UHFFFAOYSA-N
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Compound 20
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:Not Available
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Compound 21
Molecular Weight:138.1207
Molecular Formula:C7H6O3
InChIKey:YGSDEFSMJLZEOE-UHFFFAOYSA-N
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Compound 22
Molecular Weight:416.3814
Molecular Formula:C20H20N2O8
InChIKey:MIDVVUVOZKIQOK-HLRBQJGJSA-N
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Compound 23
Molecular Weight:388.3695
Molecular Formula:C23H16O6
InChIKey:WLJNZVDCPSBLRP-UHFFFAOYSA-N
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Compound 24
Molecular Weight:697.7686
Molecular Formula:C37H47NO12
InChIKey:HJYYPODYNSCCOU-BWZAIFCISA-N
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Compound 26
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:NGSWKAQJJWESNS-ZZXKWVIFSA-N
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Compound 27
Molecular Weight:154.1201
Molecular Formula:C7H6O4
InChIKey:YQUVCSBJEUQKSH-UHFFFAOYSA-N
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Compound 28a
Molecular Weight:228.2433
Molecular Formula:C14H12O3
InChIKey:LUKBXSAWLPMMSZ-OWOJBTEDSA-N
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Compound 28b
Molecular Weight:390.3839
Molecular Formula:C20H22O8
InChIKey:HSTZMXCBWJGKHG-CUYWLFDKSA-N
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Compound 29
Molecular Weight:228.2863
Molecular Formula:C15H16O2
InChIKey:IISBACLAFKSPIT-UHFFFAOYSA-N
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Compound 30
Molecular Weight:146.1412
Molecular Formula:C6H10O4
InChIKey:WNLRTRBMVRJNCN-UHFFFAOYSA-N
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Compound 10
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 15
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 28
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 31
Molecular Weight:180.2435
Molecular Formula:C11H16O2
InChIKey:MRBKEAMVRSLQPH-UHFFFAOYSA-N
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Compound 32a
Molecular Weight:220.3505
Molecular Formula:C15H24O
InChIKey:Not Available
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Compound 32b
Molecular Weight:236.3499
Molecular Formula:C15H24O2
InChIKey:HNURKXXMYARGAY-UHFFFAOYSA-N
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Compound 33a
Molecular Weight:212.1993
Molecular Formula:C10H12O5
InChIKey:ZTHYODDOHIVTJV-UHFFFAOYSA-N
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Compound 33b
Molecular Weight:282.3322
Molecular Formula:C15H22O5
InChIKey:NRPKURNSADTHLJ-UHFFFAOYSA-N
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Compound 33c
Molecular Weight:338.4385
Molecular Formula:C19H30O5
InChIKey:RPWFJAMTCNSJKK-UHFFFAOYSA-N
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Compound 34
Molecular Weight:196.1999
Molecular Formula:C10H12O4
InChIKey:SRUQARLMFOLRDN-UHFFFAOYSA-N
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Compound 35
Molecular Weight:166.217
Molecular Formula:C10H14O2
InChIKey:BGNXCDMCOKJUMV-UHFFFAOYSA-N
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Compound 36
Molecular Weight:302.3649
Molecular Formula:C18H22O4
InChIKey:HJLMQXUCOYSGRU-UHFFFAOYSA-N
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Compound 37
Molecular Weight:272.382
Molecular Formula:C18H24O2
InChIKey:VOXZDWNPVJITMN-UHFFFAOYSA-N
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Compound 123
Molecular Weight:170.2072
Molecular Formula:C12H10O
InChIKey:LLEMOWNGBBNAJR-UHFFFAOYSA-N
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Compound 32
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 33
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 72b
Molecular Weight:108.1378
Molecular Formula:C7H8O
InChIKey:Not Available
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Compound 72d
Molecular Weight:108.1378
Molecular Formula:C7H8O
InChIKey:IWDCLRJOBJJRNH-UHFFFAOYSA-N
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Compound 107b
Molecular Weight:122.1644
Molecular Formula:C8H10O
InChIKey:KUFFULVDNCHOFZ-UHFFFAOYSA-N
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Compound 107d
Molecular Weight:184.1064
Molecular Formula:C6H4N2O5
InChIKey:UFBJCMHMOXMLKC-UHFFFAOYSA-N
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Compound 53a
Molecular Weight:198.1329
Molecular Formula:C7H6N2O5
InChIKey:ZXVONLUNISGICL-UHFFFAOYSA-N
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Compound 107f
Molecular Weight:198.1329
Molecular Formula:C7H6N2O5
InChIKey:ZXVONLUNISGICL-UHFFFAOYSA-N
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Compound 53b
Molecular Weight:240.2127
Molecular Formula:C10H12N2O5
InChIKey:OWZPCEFYPSAJFR-UHFFFAOYSA-N
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Compound 107a
Molecular Weight:128.556
Molecular Formula:C6H5ClO
InChIKey:ISPYQTSUDJAMAB-UHFFFAOYSA-N
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Compound 87b
Molecular Weight:197.446
Molecular Formula:C6H3Cl3O
InChIKey:Not Available
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Compound 88a
Molecular Weight:231.891
Molecular Formula:C6H2Cl4O
InChIKey:RULKYXXCCZZKDZ-UHFFFAOYSA-N
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Compound 88b
Molecular Weight:231.891
Molecular Formula:C6H2Cl4O
InChIKey:VGVRPFIJEJYOFN-UHFFFAOYSA-N
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Compound 88c
Molecular Weight:231.891
Molecular Formula:C6H2Cl4O
InChIKey:KEWNKZNZRIAIAK-UHFFFAOYSA-N
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Compound 89
Molecular Weight:266.337
Molecular Formula:C6HCl5O
InChIKey:IZUPBVBPLAPZRR-UHFFFAOYSA-N
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Compound 38
Molecular Weight:168.1467
Molecular Formula:C8H8O4
InChIKey:WKOLLVMJNQIZCI-UHFFFAOYSA-N
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Compound 39
Molecular Weight:152.1473
Molecular Formula:C8H8O3
InChIKey:MWOOGOJBHIARFG-UHFFFAOYSA-N
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Compound 40
Molecular Weight:540.5138
Molecular Formula:C25H32O13
InChIKey:RFWGABANNQMHMZ-ZCHJGGQASA-N
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Compound 41
Molecular Weight:289.542
Molecular Formula:C12H7Cl3O2
InChIKey:Not Available
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Compound 42
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:YCIMNLLNPGFGHC-UHFFFAOYSA-N
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Compound 43
Molecular Weight:286.556
Molecular Formula:C7H5ClF6O3
InChIKey:OLRXGDHRDQKNGW-UHFFFAOYSA-N
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Compound 44
Molecular Weight:241.326
Molecular Formula:C9H18F3NOSi
InChIKey:QRKUHYFDBWGLHJ-UHFFFAOYSA-N
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Compound 45
Molecular Weight:257.4008
Molecular Formula:C8H18F3NOSi2
InChIKey:XCOBLONWWXQEBS-GHXNOFRVSA-N
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Compound 46
Molecular Weight:108.642
Molecular Formula:C3H9ClSi
InChIKey:IJOOHPMOJXWVHK-UHFFFAOYSA-N
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Compound 47
Molecular Weight:302.2357
Molecular Formula:C15H10O7
InChIKey:REFJWTPEDVJJIY-UHFFFAOYSA-N
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Compound 48
Molecular Weight:318.2351
Molecular Formula:C15H10O8
InChIKey:IKMDFBPHZNJCSN-UHFFFAOYSA-N
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Compound 49a
Molecular Weight:288.4277
Molecular Formula:C18H28N2O
InChIKey:Not Available
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Compound 49b
Molecular Weight:304.4271
Molecular Formula:C18H28N2O2
InChIKey:APYKFYXYNIYHGU-UHFFFAOYSA-N
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Compound 49c
Molecular Weight:304.4271
Molecular Formula:C18H28N2O2
InChIKey:YVPPHAUZYVAQNM-UHFFFAOYSA-N
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Compound 49d
Molecular Weight:334.4962
Molecular Formula:C20H34N2O2
InChIKey:GMWQTUXYMHYSPC-UHFFFAOYSA-N
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Compound 50
Molecular Weight:153.2215
Molecular Formula:C9H15NO
InChIKey:HADKRTWCOYPCPH-UHFFFAOYSA-M
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Compound 51
Molecular Weight:94.176
Molecular Formula:C3H10OS
InChIKey:MDTPTXSNPBAUHX-UHFFFAOYSA-M
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Compound 52a
Molecular Weight:276.913
Molecular Formula:C7H3Br2NO
InChIKey:UPMXNNIRAGDFEH-UHFFFAOYSA-N
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Compound 52b
Molecular Weight:151.1195
Molecular Formula:C7H5NO3
InChIKey:OHCQBZQVFIBAIV-UHFFFAOYSA-N
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Compound 53c
Molecular Weight:282.2494
Molecular Formula:C12H14N2O6
InChIKey:RDJTWDKSYLLHRW-UHFFFAOYSA-N
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Compound 53d
Molecular Weight:294.2601
Molecular Formula:C13H14N2O6
InChIKey:NPVCTFMVLYALMV-UHFFFAOYSA-N
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Compound 53e
Molecular Weight:326.3019
Molecular Formula:C14H18N2O7
InChIKey:HDWLUGYOLUHEMN-UHFFFAOYSA-N
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Compound 53f
Molecular Weight:240.2127
Molecular Formula:C10H12N2O5
InChIKey:IIPZYDQGBIWLBU-UHFFFAOYSA-N
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Compound 53g
Molecular Weight:282.2494
Molecular Formula:C12H14N2O6
InChIKey:BMJYKXALMDAIEG-UHFFFAOYSA-N
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Compound 49
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 52
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 53
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 54
Molecular Weight:367.3045
Molecular Formula:C17H16F7N
InChIKey:INDBXJUVIMQVEG-UHFFFAOYSA-M
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Compound 55
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 56
Molecular Weight:186.2497
Molecular Formula:C13H14O
InChIKey:OWZAPDNPZZXTAG-UHFFFAOYSA-N
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Compound 57
Molecular Weight:200.2332
Molecular Formula:C13H12O2
InChIKey:AMMCNHJXLVERIF-UHFFFAOYSA-N
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Compound 58
Molecular Weight:160.2124
Molecular Formula:C11H12O
InChIKey:UFUPVIVHCQOHTD-UHFFFAOYSA-N
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Compound 59
Molecular Weight:202.2491
Molecular Formula:C13H14O2
InChIKey:YAQSQXSYXYXMFX-UHFFFAOYSA-N
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Compound 60
Molecular Weight:210.2711
Molecular Formula:C15H14O
InChIKey:VWQJVRLETRTBMS-UHFFFAOYSA-N
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Compound 61
Molecular Weight:260.3297
Molecular Formula:C19H16O
InChIKey:UQNMQIOXYXONKE-UHFFFAOYSA-N
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Compound 62
Molecular Weight:154.1632
Molecular Formula:C8H10O3
InChIKey:KLIDCXVFHGNTTM-UHFFFAOYSA-N
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Compound 63
Molecular Weight:182.1733
Molecular Formula:C9H10O4
InChIKey:KCDXJAYRVLXPFO-UHFFFAOYSA-N
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Compound 64
Molecular Weight:178.1846
Molecular Formula:C10H10O3
InChIKey:DKZBBWMURDFHNE-NSCUHMNNSA-N
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Compound 65a
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 65b
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 65c
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 65
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 67
Molecular Weight:108.0948
Molecular Formula:C6H4O2
InChIKey:AZQWKYJCGOJGHM-UHFFFAOYSA-N
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Compound 66
Molecular Weight:110.1106
Molecular Formula:C6H6O2
InChIKey:QIGBRXMKCJKVMJ-UHFFFAOYSA-N
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Compound 72a
Molecular Weight:94.1112
Molecular Formula:C6H6O
InChIKey:ISWSIDIOOBJBQZ-UHFFFAOYSA-N
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Compound 68
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 69
Molecular Weight:194.184
Molecular Formula:C10H10O4
InChIKey:KSEBMYQBYZTDHS-HWKANZROSA-N
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Compound 70
Molecular Weight:198.1727
Molecular Formula:C9H10O5
InChIKey:JMSVCTWVEWCHDZ-UHFFFAOYSA-N
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Compound 71
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 86a
Molecular Weight:138.1207
Molecular Formula:C7H6O3
InChIKey:Not Available
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Compound 72e
Molecular Weight:122.1644
Molecular Formula:C8H10O
InChIKey:HXDOZKJGKXYMEW-UHFFFAOYSA-N
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Compound 143a
Molecular Weight:124.1372
Molecular Formula:C7H8O2
InChIKey:LHGVFZTZFXWLCP-UHFFFAOYSA-N
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Compound 73a
Molecular Weight:152.1904
Molecular Formula:C9H12O2
InChIKey:CHWNEIVBYREQRF-UHFFFAOYSA-N
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Compound 73b
Molecular Weight:150.1745
Molecular Formula:C9H10O2
InChIKey:YOMSJEATGXXYPX-UHFFFAOYSA-N
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Compound 72
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 73
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 74
Molecular Weight:306.2675
Molecular Formula:C15H14O7
InChIKey:XMOCLSLCDHWDHP-IUODEOHRSA-N
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Compound 75
Molecular Weight:265.3065
Molecular Formula:C17H15NO2
InChIKey:RLXNVJFVKRZXMB-LDADJPATSA-N
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Compound 76
Molecular Weight:130.1418
Molecular Formula:C6H10O3
InChIKey:WOBHKFSMXKNTIM-UHFFFAOYSA-N
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Compound 77
Molecular Weight:198.2158
Molecular Formula:C10H14O4
InChIKey:STVZJERGLQHEKB-UHFFFAOYSA-N
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Compound 78
Molecular Weight:203.2404
Molecular Formula:C11H13N3O
InChIKey:RLFWWDJHLFCNIJ-UHFFFAOYSA-N
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Compound 79
Molecular Weight:284.737
Molecular Formula:C17H13ClO2
InChIKey:KWCQFAYPSAKDMW-UHFFFAOYSA-N
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Compound 80
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 81
Molecular Weight:332.763
Molecular Formula:C11H13ClN4O4S
InChIKey:NAIIBGUHMHXMNS-UHFFFAOYSA-N
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Compound 82
Molecular Weight:111.1848
Molecular Formula:C7H13N
InChIKey:SBYHFKPVCBCYGV-UHFFFAOYSA-N
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Compound 83
Molecular Weight:358.82
Molecular Formula:C22H15ClN2O
InChIKey:PHMRAWURTKPWFB-UHFFFAOYSA-N
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Compound 84
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 84a
Molecular Weight:321.736
Molecular Formula:C14H8ClNO4S
InChIKey:LHLPYYKEYVGQFE-UHFFFAOYSA-N
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Compound 84b
Molecular Weight:351.762
Molecular Formula:C15H10ClNO5S
InChIKey:YSULTKLYYZOGIB-UHFFFAOYSA-N
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Compound 84c
Molecular Weight:365.788
Molecular Formula:C16H12ClNO5S
InChIKey:XJQKSQWWEGHFQF-UHFFFAOYSA-N
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Compound 84d
Molecular Weight:379.815
Molecular Formula:C17H14ClNO5S
InChIKey:BFMSRWCVFIWETF-UHFFFAOYSA-N
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Compound 85
Molecular Weight:972.8436
Molecular Formula:C36H60O30
InChIKey:HFHDHCJBZVLPGP-RWMJIURBSA-N
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Compound 86b
Molecular Weight:152.1473
Molecular Formula:C8H8O3
InChIKey:LXCFILQKKLGQFO-UHFFFAOYSA-N
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Compound 105a
Molecular Weight:152.1473
Molecular Formula:C8H8O3
InChIKey:LXCFILQKKLGQFO-UHFFFAOYSA-N
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Compound 86
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 87a
Molecular Weight:197.446
Molecular Formula:C6H3Cl3O
InChIKey:XGCHAIDDPMFRLJ-UHFFFAOYSA-N
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Compound 90
Molecular Weight:619.3357
Molecular Formula:C34H32N4NiO4
InChIKey:VGZWYBWQBINXEW-RGGAHWMASA-N
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Compound 91
Molecular Weight:176.1241
Molecular Formula:C6H8O6
InChIKey:CIWBSHSKHKDKBQ-UHFFFAOYSA-N
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Compound 92
Molecular Weight:368.343
Molecular Formula:C6FeK4N6
InChIKey:GDZKPHDTRQJRIE-UHFFFAOYSA-N
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Compound 93
Molecular Weight:571.2164
Molecular Formula:C32H16N8Ni
InChIKey:PZDDSCXQARCTBC-UHFFFAOYSA-N
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Compound 94
Molecular Weight:302.1926
Molecular Formula:C14H6O8
InChIKey:AFSDNFLWKVMVRB-UHFFFAOYSA-N
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Compound 95
Molecular Weight:354.3087
Molecular Formula:C16H18O9
InChIKey:CWVRJTMFETXNAD-WLOICVNUSA-N
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Compound 96
Molecular Weight:436.4093
Molecular Formula:C21H24O10
InChIKey:IOUVKUPGCMBWBT-QNDFHXLGSA-N
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Compound 97
Molecular Weight:610.5175
Molecular Formula:C27H30O16
InChIKey:IKGXIBQEEMLURG-NVPNHPEKSA-N
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Compound 98
Molecular Weight:338.3093
Molecular Formula:C16H18O8
InChIKey:BMRSEYFENKXDIS-ZZXKWVIFSA-N
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Compound 99
Molecular Weight:224.21
Molecular Formula:C11H12O5
InChIKey:PCMORTLOPMLEFB-ONEGZZNKSA-N
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Compound 100
Molecular Weight:448.3769
Molecular Formula:C21H20O11
InChIKey:OXGUCUVFOIWWQJ-HQBVPOQASA-N
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Compound 101
Molecular Weight:192.1666
Molecular Formula:C7H12O6
InChIKey:AAWZDTNXLSGCEK-RKGSPJAZSA-N
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Compound 102
Molecular Weight:134.0874
Molecular Formula:C4H6O5
InChIKey:Not Available
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Compound 103
Molecular Weight:316.2623
Molecular Formula:C16H12O7
InChIKey:IZQSVPBOUDKVDZ-UHFFFAOYSA-N
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Compound 143
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 104a
Molecular Weight:96.0841
Molecular Formula:C5H4O2
InChIKey:HYBBIBNJHNGZAN-UHFFFAOYSA-N
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Compound 104b
Molecular Weight:126.11
Molecular Formula:C6H6O3
InChIKey:Not Available
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Compound 104
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 105b
Molecular Weight:182.1733
Molecular Formula:C9H10O4
InChIKey:BVWTXUYLKBHMOX-UHFFFAOYSA-N
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Compound 105c
Molecular Weight:212.1993
Molecular Formula:C10H12O5
InChIKey:ZMXJAEGJWHJMGX-UHFFFAOYSA-N
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Compound 106a
Molecular Weight:178.1846
Molecular Formula:C10H10O3
InChIKey:NITWSHWHQAQBAW-QPJJXVBHSA-N
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Compound 106b
Molecular Weight:208.2106
Molecular Formula:C11H12O4
InChIKey:AUJXJFHANFIVKH-GQCTYLIASA-N
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Compound 106c
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:PMOWTIHVNWZYFI-AATRIKPKSA-N
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Compound 105
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 106
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 107c
Molecular Weight:142.583
Molecular Formula:C7H7ClO
InChIKey:RHPUJHQBPORFGV-UHFFFAOYSA-N
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Compound 107e
Molecular Weight:229.1039
Molecular Formula:C6H3N3O7
InChIKey:OXNIZHLAWKMVMX-UHFFFAOYSA-N
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Compound 108
Molecular Weight:179.242
Molecular Formula:C8H9N3S
InChIKey:PHOLIFLKGONSGY-CSKARUKUSA-N
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Compound 107
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 109
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 110
Molecular Weight:340.499
Molecular Formula:C23H32O2
InChIKey:KGRVJHAUYBGFFP-UHFFFAOYSA-N
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Compound 111
Molecular Weight:420.6267
Molecular Formula:C29H40O2
InChIKey:PHXLONCQBNATSL-UHFFFAOYSA-N
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Compound 112
Molecular Weight:358.537
Molecular Formula:C22H30O2S
InChIKey:HXIQYSLFEXIOAV-UHFFFAOYSA-N
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Compound 113
Molecular Weight:1113.6338
Molecular Formula:C73H108O8
InChIKey:BRQYPJPZPJLGOF-UHFFFAOYSA-N
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Compound 114
Molecular Weight:249.094
Molecular Formula:C9H10Cl2N2O2
InChIKey:XKJMBINCVNINCA-UHFFFAOYSA-N
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Compound 115
Molecular Weight:164.2474
Molecular Formula:C10H16N2
InChIKey:Not Available
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Compound 116b
Molecular Weight:287.2437
Molecular Formula:C15H11O6
InChIKey:VEVZSMAEJFVWIL-UHFFFAOYSA-O
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Compound 116c
Molecular Weight:301.2703
Molecular Formula:C16H13O6
InChIKey:XFDQJKDGGOEYPI-UHFFFAOYSA-O
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Compound 116a
Molecular Weight:271.2443
Molecular Formula:C15H11O5
InChIKey:XVFMGWDSJLBXDZ-UHFFFAOYSA-O
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Compound 116
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 117
Molecular Weight:410.372
Molecular Formula:C19H22O10
InChIKey:RSNFBWNUYTWAAR-YLUTUWDDSA-N
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Compound 118
Molecular Weight:410.372
Molecular Formula:C19H22O10
InChIKey:KFJNVVJUICKJEQ-LQDZTQBFSA-N
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Compound 119
Molecular Weight:270.2369
Molecular Formula:C15H10O5
InChIKey:YDQWDHRMZQUTBA-UHFFFAOYSA-N
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Compound 120
Molecular Weight:358.4712
Molecular Formula:C22H30O4
InChIKey:CBYWHFTZNVZQHV-UHFFFAOYSA-N
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Compound 121
Molecular Weight:188.2258
Molecular Formula:C11H12N2O
InChIKey:VEQOALNAAJBPNY-UHFFFAOYSA-N
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Compound 122
Molecular Weight:284.3511
Molecular Formula:C21H16O
InChIKey:SUULYYQNELQWGR-UHFFFAOYSA-N
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Compound 124
Molecular Weight:164.2441
Molecular Formula:C11H16O
InChIKey:NRZWYNLTFLDQQX-UHFFFAOYSA-N
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Compound 125
Molecular Weight:218.679
Molecular Formula:C13H11ClO
InChIKey:NCKMMSIFQUPKCK-UHFFFAOYSA-N
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Compound 126
Molecular Weight:1134.9843
Molecular Formula:C42H70O35
InChIKey:WHGYBXFWUBPSRW-FOUAGVGXSA-N
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Compound 127
Molecular Weight:207.29
Molecular Formula:C8H17NO3S
InChIKey:MKWKNSIESPFAQN-UHFFFAOYSA-N
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Compound 128
Molecular Weight:138.1638
Molecular Formula:C8H10O2
InChIKey:YCCILVSKPBXVIP-UHFFFAOYSA-N
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Compound 129a
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:KKSDGJDHHZEWEP-SNAWJCMRSA-N
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Compound 129b
Molecular Weight:164.158
Molecular Formula:C9H8O3
InChIKey:PMOWTIHVNWZYFI-AATRIKPKSA-N
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Compound 130
Molecular Weight:647.3888
Molecular Formula:C36H36N4NiO4
InChIKey:DVEMZMAGSCHIBF-YPFLCKFZSA-N
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Compound 131
Molecular Weight:195.2398
Molecular Formula:C13H11N2
InChIKey:KBZALDXXIMXRBJ-UHFFFAOYSA-N
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Compound 132
Molecular Weight:148.071
Molecular Formula:C4H4O6
InChIKey:BZCOSCNPHJNQBP-UPHRSURJSA-N
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Compound 133
Molecular Weight:244.289
Molecular Formula:C14H16N2O2
InChIKey:JRBJSXQPQWSCCF-UHFFFAOYSA-N
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Compound 134
Molecular Weight:126.11
Molecular Formula:C6H6O3
InChIKey:WQGWDDDVZFFDIG-UHFFFAOYSA-N
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Compound 135
Molecular Weight:571.4562
Molecular Formula:C32H16CoN8
InChIKey:YMJDXNPQHNLRAM-UHFFFAOYSA-N
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Compound 136
Molecular Weight:174.1082
Molecular Formula:C6H6O6
InChIKey:SBJKKFFYIZUCET-UHFFFAOYSA-N
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Compound 137
Molecular Weight:108.1411
Molecular Formula:C6H8N2
InChIKey:GEYOCULIXLDCMW-UHFFFAOYSA-N
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Compound 138
Molecular Weight:269.322
Molecular Formula:C14H11N3OS
InChIKey:MYKNLNYIIIVHLQ-UHFFFAOYSA-N
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Compound 139
Molecular Weight:177.1601
Molecular Formula:C8H7N3O2
InChIKey:HWYHZTIRURJOHG-UHFFFAOYSA-N
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Compound 140a
Molecular Weight:179.1727
Molecular Formula:C9H9NO3
InChIKey:QIAFMBKCNZACKA-UHFFFAOYSA-N
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Compound 140b
Molecular Weight:193.1992
Molecular Formula:C10H11NO3
InChIKey:YOEBAVRJHRCKRE-UHFFFAOYSA-N
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Compound 140c
Molecular Weight:193.1992
Molecular Formula:C10H11NO3
InChIKey:YKAKNMHEIJUKEX-UHFFFAOYSA-N
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Compound 140d
Molecular Weight:193.1992
Molecular Formula:C10H11NO3
InChIKey:NRSCPTLHWVWLLH-UHFFFAOYSA-N
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Compound 140
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 141
Molecular Weight:394.3178
Molecular Formula:C18H12N5O6
InChIKey:WCBPJVKVIMMEQC-UHFFFAOYSA-N
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Compound 142
Molecular Weight:207.2689
Molecular Formula:C12H17NO2
InChIKey:DIRFUJHNVNOBMY-UHFFFAOYSA-N
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Compound 143b
Molecular Weight:152.1904
Molecular Formula:C9H12O2
InChIKey:CHWNEIVBYREQRF-UHFFFAOYSA-N
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Compound 144
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 145
Molecular Weight:164.2474
Molecular Formula:C10H16N2
InChIKey:QNGVNLMMEQUVQK-UHFFFAOYSA-N
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Compound 146
Molecular Weight:135.2062
Molecular Formula:C9H13N
InChIKey:KWVPRPSXBZNOHS-UHFFFAOYSA-N
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Compound 147
Molecular Weight:150.2176
Molecular Formula:C10H14O
InChIKey:MGSRCZKZVOBKFT-UHFFFAOYSA-N
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Compound 149
Molecular Weight:135.1632
Molecular Formula:C8H9NO
InChIKey:GPRYKVSEZCQIHD-UHFFFAOYSA-N
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Compound 150
Molecular Weight:137.136
Molecular Formula:C7H7NO2
InChIKey:ALYNCZNDIQEVRV-UHFFFAOYSA-N
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Compound 151
Molecular Weight:365.404
Molecular Formula:C16H19N3O5S
InChIKey:LSQZJLSUYDQPKJ-NJBDSQKTSA-N
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Compound 152
Molecular Weight:1449.254
Molecular Formula:C66H75Cl2N9O24
InChIKey:MYPYJXKWCTUITO-UTHKAUQRSA-N
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Compound 153a
Molecular Weight:150.1149
Molecular Formula:C6H4N3O2
InChIKey:ICMFHHGKLRTCBM-UHFFFAOYSA-N
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Compound 153b
Molecular Weight:175.1238
Molecular Formula:C7H3N4O2
InChIKey:OBIZWVNPTBBRFE-UHFFFAOYSA-N
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Compound 154
Molecular Weight:237.3379
Molecular Formula:C14H23NO2
InChIKey:DKGMXEDDRLKYAS-UHFFFAOYSA-N
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Compound 153
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 155
Molecular Weight:181.2316
Molecular Formula:C10H15NO2
InChIKey:SQVIAVUSQAWMKL-UHFFFAOYSA-N
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Compound 156
Molecular Weight:225.2842
Molecular Formula:C12H19NO3
InChIKey:ADUKCCWBEDSMEB-UHFFFAOYSA-N
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Compound 157
Molecular Weight:287.3535
Molecular Formula:C17H21NO3
InChIKey:IOVGROKTTNBUGK-UHFFFAOYSA-N
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Compound 158a
Molecular Weight:210.445
Molecular Formula:C6H2Cl3NO
InChIKey:YHUMTHWQGWPJOQ-UHFFFAOYSA-N
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Compound 158b
Molecular Weight:299.347
Molecular Formula:C6H2Br2ClNO
InChIKey:JYWKEVKEKOTYEX-UHFFFAOYSA-N
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Compound 159
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 158
Molecular Weight:Not Available
Molecular Formula:Not Available
InChIKey:Not Available
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Compound 160
Molecular Weight:316.308
Molecular Formula:C20H14O4
InChIKey:GGCFKQBFXFYVGD-UHFFFAOYSA-L
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Compound 161
Molecular Weight:333.3159
Molecular Formula:C20H16O5
InChIKey:FRGPNGFJVZHRJX-UHFFFAOYSA-K
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Compound 162
Molecular Weight:354.376
Molecular Formula:C19H15O5S
InChIKey:CQPRIPADUXKUGX-UHFFFAOYSA-N
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Compound 163
Molecular Weight:352.362
Molecular Formula:C19H14O5S
InChIKey:NUKDWKHUQCAPFT-UHFFFAOYSA-L
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Compound 164
Molecular Weight:1297.1248
Molecular Formula:C48H80O40
InChIKey:GDSRMADSINPKSL-HSEONFRVSA-N
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Compound 165
Molecular Weight:340.4129
Molecular Formula:C21H24O4
InChIKey:LCFVJGUPQDGYKZ-UHFFFAOYSA-N
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Compound 166
Molecular Weight:837.2632
Molecular Formula:C56H84O5
InChIKey:NJNTUFZFUZLFKY-UHFFFAOYSA-N
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Compound 167
Molecular Weight:543.5639
Molecular Formula:C31H29NO8
InChIKey:UKGGRXQWXJSOGS-QUMQEAAQSA-N
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Compound 168
Molecular Weight:177.2429
Molecular Formula:C11H15NO
InChIKey:MNFZZNNFORDXSV-UHFFFAOYSA-N
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Compound 169
Molecular Weight:211.2576
Molecular Formula:C11H17NO3
InChIKey:LMOINURANNBYCM-UHFFFAOYSA-N
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Compound 170
Molecular Weight:303.3529
Molecular Formula:C17H21NO4
InChIKey:LSLYOANBFKQKPT-UHFFFAOYSA-N
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Compound 171
Molecular Weight:420.4993
Molecular Formula:C22H32N2O6
InChIKey:CTIVZPIEVGUKIH-UHFFFAOYSA-N
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Compound 172
Molecular Weight:389.4057
Molecular Formula:C18H23N5O5
InChIKey:WVLAAKXASPCBGT-UHFFFAOYSA-N
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Compound 180
Molecular Weight:158.0339
Molecular Formula:KMnO4
InChIKey:VZJVWSHVAAUDKD-UHFFFAOYSA-N
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Compound 173
Molecular Weight:226.367
Molecular Formula:C6H4BClF4N2
InChIKey:HGYBTBSOTHVJJT-UHFFFAOYSA-N
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Compound 174
Molecular Weight:301.3801
Molecular Formula:C18H23NO3
InChIKey:BMUKKTUHUDJSNZ-UHFFFAOYSA-N
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Compound 175
Molecular Weight:214.3061
Molecular Formula:C14H18N2
InChIKey:GJFNRSDCSTVPCJ-UHFFFAOYSA-N
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Compound 176
Molecular Weight:182.585
Molecular Formula:C6H12ClO2P
InChIKey:WGPCXYWWBFBNSS-UHFFFAOYSA-N
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Compound 177
Molecular Weight:126.479
Molecular Formula:C2H4ClO2P
InChIKey:OLSFRDLMFAOSIA-UHFFFAOYSA-N
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Compound 178b
Molecular Weight:263.2476
Molecular Formula:C16H9NO3
InChIKey:PBQVIBXOKDPEMG-UHFFFAOYSA-N
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