DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:20:55 UTC
Update Date	2025-03-25 01:01:25 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02249213
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₆O₁₁
Molecular Mass	360.0693
SMILES	COc1c(O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1C(=O)O
InChI Key	QPQVSCYZNSSPHF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	o-glucuronides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals alkyl aryl ethers anisoles benzoic acids benzoyl derivatives beta hydroxy acids and derivatives carbonyl compounds dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives hydroxybenzoic acid derivatives methoxybenzenes methoxyphenols monosaccharides 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 aromatic heteromonocyclic compound benzoyl o-glucuronide 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid organic oxide acetal o-methoxybenzoic acid or derivatives 1-carboxy-2-haloaromatic compound benzoic acid oxane organoheterocyclic compound alcohol pyran carboxylic acid or derivatives benzoic acid or derivatives hydroxy acid 1-hydroxy-4-unsubstituted benzenoid methoxybenzene hydroxybenzoic acid oxacycle pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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