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| CAS No.: | 31105-76-7 |
| Molecular Formula | C₂₂H₂₀O₁₂ |
| Molecular Weight | 476.4g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
IUPAC Name: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
InChI: InChI=1S/C22H20O12/c1-31-19-13(33-22-18(28)16(26)17(27)20(34-22)21(29)30)7-12-14(15(19)25)10(24)6-11(32-12)8-2-4-9(23)5-3-8/h2-7,16-18,20,22-23,25-28H,1H3,(H,29,30)/t16-,17-,18+,20-,22+/m0/s1
InChIKey: GVEZRDBRYNJUDQ-QSUZLTIMSA-N
Canonical SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)C(=O)O)O)O)O
Isomeric SMILES: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O
Synonyms: Hispidulin 7-glucuronide; 31105-76-7; (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid; 6-O-Methylscutellarin; MEGxp0_001401; ACon1_000347; CHEBI:167839; DTXSID501345727; …
Botanical Source:
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