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| CAS No.: | 96862-01-0 |
| Molecular Formula | C₂₄H₂₂O₁₅ |
| Molecular Weight | 550.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
IUPAC Name: 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
InChI: InChI=1S/C24H22O15/c25-9-4-12(28)17-13(5-9)37-22(8-1-2-10(26)11(27)3-8)23(19(17)33)39-24-21(35)20(34)18(32)14(38-24)7-36-16(31)6-15(29)30/h1-5,14,18,20-21,24-28,32,34-35H,6-7H2,(H,29,30)/t14-,18-,20+,21-,24+/m1/s1
InChIKey: NBQPHANHNTWDML-UJKBSQBPSA-N
Canonical SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O
Isomeric SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O)O)O
Synonyms: Quercetin 3-O-malonylglucoside; 96862-01-0; Quercetin 3-O-(6”-o-malonyl)-beta-D-glucoside; UNII-665V8QQD5I; Quercetin-3-O-(6”-malonylglucoside); 665V8QQD5I; Quercetin 3-o-beta-D-(6”-o-malonyl)-glucoside; Quercetin 3-O-(6”-malonylglucoside); …
Botanical Source:
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