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Vanillic acidFormula: C8H8O4 Molecular Weight: 168.15IUPAC Name: 4-hydroxy-3-methoxybenzoic acidSMILES: COC1=C(C=CC(=C1)C(=O)O)OInChIKey: WKOLLVMJNQIZCI-UHFFFAOYSA-NInChI: InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)Synonyms: Protocatechuic acid 3-methyl ester | 3-Methoxy-4-hydroxybenzoate | 4-hydroxy-m-Anisate | Acid, 4-Hydroxy-3-methoxyben...
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Cryptochlorogenic acidCas Number: 905-99-7Formula: C16H18O9 Molecular Weight: 354.31IUPAC Name: (3R,5R)-4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,3,5-trihydroxycyclohexane-1-carboxylic acidSMILES: C1C(C(C(CC1(C(=O)O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OInChIKey: GYFFKZTYYAFCTR-AVXJPILUSA-NInChI: show more
Synonyms: Cinnamic acid, 3,4-dihydroxy-, 4-carboxy-2,4,6-trihydroxycyclohexyl ester | Cyclohexanecarboxylic acid, 4-((3-(3,4-di... -
Malachite Green, OxalateCas Number: 2437-29-8Formula: C23H25N2·C2HO4·0.5C2H2O4 Molecular Weight: 463.5IUPAC Name: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acidSMILES: show more InChIKey: CNYGFPPAGUCRIC-UHFFFAOYSA-LInChI: show more Synonyms: Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, ethanedioate, ...
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Malachite green oxalateCas Number: 2437-29-8Formula: C23H25N2·C2HO4·0.5C2H2O4 Molecular Weight: 463.5IUPAC Name: [4-[[4-(dimethylamino)phenyl]-phenylmethylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;2-hydroxy-2-oxoacetate;oxalic acidSMILES: show more InChIKey: CNYGFPPAGUCRIC-UHFFFAOYSA-LInChI: show more Synonyms: C.I.42000 | Methanaminium, N-(4-((4-(dimethylamino)phenyl)phenylmethylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, et...
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Sodium 3-(3,4-dihydroxyphenyl)-DL-lactateCas Number: 67920-52-9 Compound CID: 23711819Formula: C9H9NaO5 Molecular Weight: 220.15IUPAC Name: sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoateSMILES: C1=CC(=C(C=C1CC(C(=O)[O-])O)O)O.[Na+]InChIKey: ZMMKVDBZTXUHFO-UHFFFAOYSA-MInChI: InChI=1S/C9H10O5.Na/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14;/h1-3,8,10-12H,4H2,(H,13,14);/q;+1/p-1Synonyms: AKOS025401681 | CS-5678 | sodium;3-(3,4-dihydroxyphenyl)-2-hydroxypropanoate | ( inverted exclamation markA)-DanShenS...
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Ethyl caffeateCas Number: 102-37-4Formula: C11H12O4 Molecular Weight: 208.21IUPAC Name: ethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateSMILES: CCOC(=O)C=CC1=CC(=C(C=C1)O)OInChIKey: WDKYDMULARNCIS-GQCTYLIASA-NInChI: InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+Synonyms: 4gqq | NSC619661 | NSC-619661 | ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate | (E)-ethyl caffeate | AC-34380 | HY-N6966...
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Aristolochic acid A, Agonist of TAS2R14;Agonist of TAS2R31;Agonist of TAS2R43Cas Number: 313-67-7 EC Number: 206-238-3Formula: C17H11NO7 Molecular Weight: 341.27IUPAC Name: 8-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acidSMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)OInChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-NInChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)Synonyms: DTXSID0040969 | KBio2_006772 | NCGC00017334-01 | NCGC00095981-03 | ARISTOLOCHIC ACID [IARC] | C17H11NO7 | KBio2_00163...
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Ethyl pyruvateCas Number: 617-35-6 EC Number: 210-511-2Formula: C5H8O3 Molecular Weight: 116.12IUPAC Name: ethyl 2-oxopropanoateSMILES: CCOC(=O)C(=O)CInChIKey: XXRCUYVCPSWGCC-UHFFFAOYSA-NInChI: InChI=1S/C5H8O3/c1-3-8-5(7)4(2)6/h3H2,1-2H3Synonyms: Ethyl methylglyoxylate | 2-oxopropanoic acid ethyl ester | Ethyl 2-oxopropanoate | Ethyl 2-oxopropionate | Methyl eth...
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Quercetin 3-β-D-glucosideFormula: C21H20O12 Molecular Weight: 464.38IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneSMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)OInChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-NInChI: show more Synonyms: BRD-K73991644-001-01-7 | Isoquercitrin | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6...
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DL-Thioctic acidCas Number: 1077-28-7 EC Number: 214-071-2Formula: C8H14O2S2 Molecular Weight: 206.33IUPAC Name: 5-(dithiolan-3-yl)pentanoic acidSMILES: C1CSSC1CCCCC(=O)OInChIKey: AGBQKNBQESQNJD-UHFFFAOYSA-NInChI: InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)Synonyms: 1,2-dithiolane-3-pentanoic acid | thioctic acid | Lip(S2) | DL-6,8-Thioctic acid | 6,8-Thioctic acid | dl-Lipoic acid...
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Erdosteine, Anti-inflammatory, anti-oxidantCas Number: 84611-23-4Formula: C8H11NO4S2 Molecular Weight: 249.31IUPAC Name: 2-[2-oxo-2-[(2-oxothiolan-3-yl)amino]ethyl]sulfanylacetic acidSMILES: C1CSC(=O)C1NC(=O)CSCC(=O)OInChIKey: QGFORSXNKQLDNO-UHFFFAOYSA-NInChI: InChI=1S/C8H11NO4S2/c10-6(3-14-4-7(11)12)9-5-1-2-15-8(5)13/h5H,1-4H2,(H,9,10)(H,11,12)Synonyms: ERDOSTEINE [MI] | Erdosteine;[[2-Oxo-2-[(tetrahydro-2-oxo-3-thienyl)amino]ethyl]thio]acetic acid; Dithiosteine; Erdos...
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SarsasapogeninFormula: C27H44O3 Molecular Weight: 416.64IUPAC Name: (1R,2S,4S,5'S,6R,7S,8R,9S,12S,13S,16S,18R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-olSMILES: CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC1InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-NInChI: show more Synonyms: S6RXB5KF56 | SCHEMBL180164 | PYM50028 | HY-N0073 | Sasarasapogenin | (+/-)-4-Furfurylthio-2-pentanone | A3192 | AS-77...
