DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:21:20 UTC
Update Date	2025-03-21 18:37:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00113588
Frequency	23.3
Structure
Chemical Formula	C₁₅H₁₈O₁₁
Molecular Mass	374.0849
SMILES	COc1cc(C(=O)O)c(OC)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	LCUGVPMODDZGQB-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	phenylpropanoids and polyketides
Class	tannins
Subclass	hydrolyzable tannins
Direct Parent	hydrolyzable tannins
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds acetals alkyl aryl ethers anisoles benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives dimethoxybenzenes glucuronic acid derivatives hydrocarbon derivatives m-methoxybenzoic acids and derivatives monosaccharides o-glucuronides o-methoxybenzoic acids and derivatives organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound p-dimethoxybenzene benzoyl o-glucuronide monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide dimethoxybenzene beta-hydroxy acid saccharide organic oxide acetal o-methoxybenzoic acid or derivatives 1-carboxy-2-haloaromatic compound benzoic acid m-methoxybenzoic acid or derivatives oxane organoheterocyclic compound hydrolyzable tannin alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid methoxybenzene oxacycle organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid phenoxy compound organooxygen compound

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