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  1. Catalpol
    Cas#: 2415-24-9        Compound CID:  91520
    Formula:  C15H22O10        Molecular Weight: 362.33
    IUPAC Name: (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
    SMILES: C1=COC(C2C1C(C3C2(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O
    InChIKey: LHDWRKICQLTVDL-PZYDOOQISA-N
    InChI: InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1
    Synonyms: Catalpol | CHEBI:69797 | SR-05000002315-2 | (2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5S,6R,10S)-5-hydroxy-2-(hydroxymethyl)-3,9...
  2. Jatrorrhizine
    Cas#: 3621-38-3        Compound CID:  72323
    Formula:  C20H21NO5        Molecular Weight: 355.38
    IUPAC Name: 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol
    SMILES: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC
    InChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-O
    InChI: InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
    Synonyms: FT-0686648 | jateorrhizine | Berbinium, 7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy- (8CI) | Ethynyldimethylc...
  3. Alantolactone
    Cas#: 546-43-0        Compound CID:  72724
    Formula:  C15H20O2        Molecular Weight: 232.32
    IUPAC Name: (3aR,5S,8aR,9aR)-5,8a-dimethyl-3-methylidene-5,6,7,8,9,9a-hexahydro-3aH-benzo[f][1]benzofuran-2-one
    SMILES: CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C
    InChIKey: PXOYOCNNSUAQNS-AGNJHWRGSA-N
    InChI: InChI=1S/C15H20O2/c1-9-5-4-6-15(3)8-13-11(7-12(9)15)10(2)14(16)17-13/h7,9,11,13H,2,4-6,8H2,1,3H3/t9-,11+,13+,15+/m0/s1
    Synonyms: (3aR,5S,8aR,9aR)-5,8a-Dimethyl-3-methylene-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one | Q21099633 | DT...
  4. Vinblastine sulfate salt
    Cas#: 143-67-9        Compound CID:  241902
    Formula:  C46H58N4O9·H2SO4        Molecular Weight: 909.05
    IUPAC Name: methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate;sulfuric acid
    SMILES: CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
    InChIKey: KDQAABAKXDWYSZ-JKDPCDLQSA-N
    InChI: InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1
    Synonyms: V1193 | Vinblastine, hydrate | CHEBI:9984 | Q27108547 | AKOS024456494 | HMS3676C14 | Belvan, VLB | Vinblastine 5 | Vi...
  5. Protocatechuic acid
    Cas#: 99-50-3        Compound CID:  72
    Formula:  C7H6O4        Molecular Weight: 154.12
    IUPAC Name: 3,4-dihydroxybenzoic acid
    SMILES: C1=CC(=C(C=C1C(=O)O)O)O
    InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N
    InChI: InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
    Synonyms: AC-9617 | Carbohydroquinonic acid | DIHYDROXYBENZOIC ACID, 3,4- | Protocatechuic acid, primary pharmaceutical referen...
  6. Sennoside B
    Cas#: 128-57-4        Compound CID:  91440
    Formula:  C42H38O20        Molecular Weight: 862.74
    IUPAC Name: (9S)-9-[(9R)-2-carboxy-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracene-2-carboxylic acid
    SMILES: C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O
    InChIKey: IPQVTOJGNYVQEO-AIFLABODSA-N
    InChI: InChI=1S/C42H38O20/c43-11-23-31(47)35(51)37(53)41(61-23)59-21-5-1-3-15-25(17-7-13(39(55)56)9-19(45)27(17)33(49)29(15)21)26-16-4-2-6-22(60-42-38(54)36(52)32(48)24(12-44)62-42)30(16)34(50)28-18(26)8-14(40(57)58)10-20(28)46/h1-10,23-26,31-32,35-38,41-48,51-54H,11-12H2,(H,55,56)(H,57,58)/t23-,24-,25-,26+,31-,32-,35+,36+,37-,38-,41-,42-/m1/s1
    Synonyms: F887D1637W | 2-bromoacetylbenzofuran | 5,5'-bis(b-delta-glucopyranosyloxy)-9,9',10,10'-tetrahydro-4,4'-dihydroxy-10,1...
  7. Sudan red G
    Cas#: 1229-55-6        Compound CID:  14678
    Formula:  C17H14N2O2        Molecular Weight: 278.31
    IUPAC Name: 1-[(2-methoxyphenyl)diazenyl]naphthalen-2-ol
    SMILES: COC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O
    InChIKey: ALLOLPOYFRLCCX-UHFFFAOYSA-N
    InChI: InChI=1S/C17H14N2O2/c1-21-16-9-5-4-8-14(16)18-19-17-13-7-3-2-6-12(13)10-11-15(17)20/h2-11,20H,1H3
    Synonyms: Solvent red 1|1229-55-6|Sudan Red G|Sudan R|Ceres Red G|1-((2-Methoxyphenyl)diazenyl)naphthalen-2-ol|Fat Red BG|Fat S...
  8. Triazophos
    Cas#: 24017-47-8        Compound CID:  32184
    Formula:  C12H16N3O3PS        Molecular Weight: 313.31
    IUPAC Name: diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
    SMILES: CCOP(=S)(OCC)OC1=NN(C=N1)C2=CC=CC=C2
    InChIKey: AMFGTOFWMRQMEM-UHFFFAOYSA-N
    InChI: InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
    Synonyms: TRIAZOPHOS [MI] | AI3-27764 | BRN 0682554 | AKOS015899305 | UNII-6099J8L0EE | Triazophos | Tox21_301578 | HSDB 6455 |...
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