Quercetin 4′-glucuronide
CAS Registry Number®
201463-36-7
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CAS Name
Quercetin 4′-glucuronideMolecular Formula
C21H18O13Molecular Mass
478.36Cite this Page
Quercetin 4′-glucuronide. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=201463-36-7 (retrieved ) (CAS RN: 201463-36-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C21H18O13/c22-7-4-9(24)12-11(5-7)32-18(15(27)13(12)25)6-1-2-10(8(23)3-6)33-21-17(29)14(26)16(28)19(34-21)20(30)31/h1-5,14,16-17,19,21-24,26-29H,(H,30,31)/t14-,16-,17+,19-,21+/m0/s1
InChIKey
InChIKey=OUQZCILJSVDJFB-JENRNSKYSA-N
SMILES
O=C1C=2C(OC(=C1O)C3=CC(O)=C(O[C@@H]4O[C@H](C(O)=O)[C@@H](O)[C@H](O)[C@H]4O)C=C3)=CC(O)=CC2O
Canonical SMILES
O=C(O)C1OC(OC=2C=CC(=CC2O)C=3OC=4C=C(O)C=C(O)C4C(=O)C3O)C(O)C(O)C1O
Other Names for this Substance
- β-D-Glucopyranosiduronic acid, 2-hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl
- 2-Hydroxy-4-(3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-2-yl)phenyl β-D-glucopyranosiduronic acid
- Quercetin 4′-O-β-D-glucuronide
- Quercetin 4′-glucuronide
- Quercetin 4′-O-β-glucuronide
