DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:11:21 UTC
Update Date	2025-03-21 18:32:07 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00089207
Frequency	31.7
Structure
Chemical Formula	C₂₇H₂₈O₁₈
Molecular Mass	640.1276
SMILES	COc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3C2=O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	SASVJTZPACWSCO-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	2-arylbenzofuran flavonoids
Subclass	2-arylbenzofuran flavonoids
Direct Parent	2-arylbenzofuran flavonoids
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles aryl alkyl ketones benzofuranones beta hydroxy acids and derivatives carboxylic acids coumarans dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols vinylogous acids
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid aryl alkyl ketone glucuronic acid or derivatives benzofuranone 2-arylbenzofuran flavonoid o-glucuronide 1-hydroxy-2-unsubstituted benzenoid monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid ketone 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal aromatic heteropolycyclic compound oxane organoheterocyclic compound coumaran alcohol pyran carboxylic acid or derivatives benzofuran hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene oxacycle vinylogous acid organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound aryl ketone

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