Reference Materials
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TilirosideCas#: 20316-62-5 Compound CID: 5320686Formula: C30H26O13 Molecular Weight: 594.52IUPAC Name: [(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoateSMILES: C1=CC(=CC=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)OInChIKey: DVGGLGXQSFURLP-VWMSDXGPSA-NInChI: InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1Synonyms: HSDB 593 | 2-PROPENOIC ACID, 3-(4-HYDROXYPHENYL)-, 6'-ESTER WITH 3-(.BETA.-D-GLUCOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HY...
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GalanginCas#: 548-83-4Formula: C15H10O5 Molecular Weight: 270.24IUPAC Name: 3,5,7-trihydroxy-2-phenylchromen-4-oneSMILES: C1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: VCCRNZQBSJXYJD-UHFFFAOYSA-NInChI: InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19HSynonyms: Norizalpinin | 3,5,7-Trihydroxyflavone | 3,5,7-Trihydroxy-2-phenyl-4H-chromen-4-one
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Resveratrol, Inhibitor of COX-2;Agonist of TAS2R14;Antagonist of Peroxisome proliferator-activated receptor-γCas#: 501-36-0 Compound CID: 445154Formula: C14H12O3 Molecular Weight: 228.24IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diolSMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)OInChIKey: LUKBXSAWLPMMSZ-OWOJBTEDSA-NInChI: InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+Synonyms: Q369O8926L | CHEBI:27881 | CU-01000001503-3 | HMS1792H15 | NSC133100 | BPBio1_000479 | NCGC00344093-09 | RESVERATROL ...
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AdenosineCas#: 58-61-7 Compound CID: 60961Formula: C10H13N5O4 Molecular Weight: 267.24IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolSMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NInChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-NInChI: InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1Synonyms: Applicell Miracle | Adenin riboside | U-max Wrinkle Serum | Adenine riboside | N6-Methylado | 4cki | Limulus Nourishi...
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Chrysin, Inhibitor of CYP1A1;Inhibitor of CYP1B1Cas#: 480-40-0 Compound CID: 5281607Formula: C15H10O4 Molecular Weight: 254.24IUPAC Name: 5,7-dihydroxy-2-phenylchromen-4-oneSMILES: C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)OInChIKey: RTIXKCRFFJGDFG-UHFFFAOYSA-NInChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17HSynonyms: Chrysin, 97% | cid_5281607 | NCGC00168807-02 | 57D | HMS501O16 | KBioSS_000725 | Chrysin,(S) | LMPK12110189 | NCGC000...
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Kaempferol, Inhibitor of CYP2A13Cas#: 520-18-3 Compound CID: 5280863Formula: C15H10O6 Molecular Weight: 286.24IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-NInChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20HSynonyms: 5,7,4'-Trihydroxyflavonol | DTXCID30768 | Indigo Yellow | KAEMPFEROL [INCI] | Kampferol | SPBio_003058 | NSC656277 | ...
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6,7-DihydroxycoumarinCas#: 305-01-1 Compound CID: 5281416Formula: C9H6O4 Molecular Weight: 178.14IUPAC Name: 6,7-dihydroxychromen-2-oneSMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)OInChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-NInChI: InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11HSynonyms: 6,7-bis(oxidanyl)chromen-2-one | HMS2097L22 | 6,7-Dihydroxy-2H-1-benzopyran-2-one | Esculin aglucon | HMS1921M14 | Sp...
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SaccharinCas#: 81-07-2 Compound CID: 5143Formula: C7H5NO3S Molecular Weight: 183.18IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-oneSMILES: C1=CC=C2C(=C1)C(=O)NS2(=O)=OInChIKey: CVHZOJJKTDOEJC-UHFFFAOYSA-NInChI: InChI=1S/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)Synonyms: AI3-38107 | 1,1-Dioxide-1,2-benzisothiazolin-3-one | HSDB 669 | 1,2-Dihydro-2-ketobenzisosulphonazole | Benzosulfinid...
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TaxifolinCas#: 480-18-2 Compound CID: 439533Formula: C15H12O7 Molecular Weight: 304.25IUPAC Name: (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-oneSMILES: C1=CC(=C(C=C1C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)OInChIKey: CXQWRCVTCMQVQX-LSDHHAIUSA-NInChI: InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1Synonyms: 2,3-Dihydroquercetin | Lariksin | (+)-Dihydroquercetin | Distylin | Lavitol | (+)-(2R,3R)-dihydroquercetin | (+/-)-Ta...
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IsorhamnetinCas#: 480-19-3 Compound CID: 5281654Formula: C16H12O7 Molecular Weight: 316.26IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-oneSMILES: COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IZQSVPBOUDKVDZ-UHFFFAOYSA-NInChI: InChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3Synonyms: NCGC00163572-02 | 3'-Methoxyquercetin | 3,5,7-Trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-1-benzopyran-4-one | SR-050...
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KaempferolCas#: 520-18-3 Compound CID: 5280863Formula: C15H10O6 Molecular Weight: 286.24IUPAC Name: 3,5,7-trihydroxy-2-(4-hydroxyphenyl)chromen-4-oneSMILES: C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)OInChIKey: IYRMWMYZSQPJKC-UHFFFAOYSA-NInChI: InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20HSynonyms: 5,7,4'-Trihydroxyflavonol | DTXCID30768 | Indigo Yellow | KAEMPFEROL [INCI] | Kampferol | SPBio_003058 | NSC656277 | ...
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HesperitinCas#: 520-33-2 Compound CID: 72281Formula: C16H14O6 Molecular Weight: 302.29IUPAC Name: (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydrochromen-4-oneSMILES: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)OInChIKey: AIONOLUJZLIMTK-AWEZNQCLSA-NInChI: InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1Synonyms: Hesperitin; Hesperin; YSO2; Prestwick_908 | (2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-2,3-dihydro-4H-chromen-4...
