DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:48 UTC
Update Date	2025-03-25 00:47:28 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161957
Frequency	0.5
Structure
Chemical Formula	C₂₈H₃₂O₁₉
Molecular Mass	672.1538
SMILES	O=C(O)C1OC(Oc2cc(OC3OC(C(=O)O)C(O)C(O)C(O)C3O)cc3c2CC(O)C(c2ccc(O)c(O)c2)O3)C(O)C(O)C1O
InChI Key	APPYVRUQCYBBIG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	flavonoids
Subclass	flavonoid glycosides
Direct Parent	flavonoid o-glucuronides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 3'-hydroxyflavonoids 3-hydroxyflavonoids 4'-hydroxyflavonoids acetals alkyl aryl ethers benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids catechins dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes oxepanes phenol ethers pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety 3-hydroxyflavonoid carbonyl group ether carboxylic acid glucuronic acid or derivatives 1-benzopyran flavan o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid flavonoid-5-o-glucuronide 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound chromane catechin oxane flavan-3-ol organoheterocyclic compound alcohol benzopyran pyran carboxylic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid 3'-hydroxyflavonoid oxepane oxacycle organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives 4'-hydroxyflavonoid phenol hydrocarbon derivative benzenoid organooxygen compound

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