DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:59:26 UTC
Update Date	2025-03-21 18:06:04 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00060828
Frequency	51.4
Structure
Chemical Formula	C₂₃H₂₈O₁₅
Molecular Mass	544.1428
SMILES	COc1cc(C=CC(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	ZKWWBWBVVHUEFV-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	acetals alkyl aryl ethers alpha hydroxy acids and derivatives anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids cinnamic acids and derivatives cyclohexanols enoate esters fatty acid esters glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes monosaccharides o-glucuronides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids quinic acids and derivatives tertiary alcohols tricarboxylic acids and derivatives
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound alpha-hydroxy acid o-glucuronide monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound hydrolyzable tannin enoate ester alcohol pyran carboxylic acid or derivatives cyclohexanol cyclitol or derivatives hydroxy acid cyclic alcohol methoxybenzene oxacycle fatty acid ester tertiary alcohol organic oxygen compound pyran anisole carboxylic acid ester secondary alcohol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound quinic acid

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