DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:56 UTC
Update Date	2025-03-21 18:30:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081241
Frequency	35.7
Structure
Chemical Formula	C₂₁H₂₂O₁₁
Molecular Mass	450.1162
SMILES	COc1ccc(C2Oc3cc(O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C1O
InChI Key	ZMGWWLZTMIAMHG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glycosides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3-hydroxyflavonoids 4'-o-methylated flavonoids 5-hydroxyflavonoids 7-hydroxyflavonoids acetals alkyl aryl ethers anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives monosaccharides organic oxides oxacyclic compounds phenoxy compounds secondary alcohols tetrahydrofurans
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid 1-benzopyran flavan 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound chromane catechin flavonoid-3p-o-glycoside flavan-3-ol organoheterocyclic compound alcohol benzopyran tetrahydrofuran 5-hydroxyflavonoid hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene flavonoid o-glycoside oxacycle monocarboxylic acid or derivatives organic oxygen compound anisole 7-hydroxyflavonoid secondary alcohol 4p-methoxyflavonoid-skeleton hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

Showing information for DMID00081241