DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:35 UTC
Update Date	2025-03-25 00:59:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236890
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₈O₁₄
Molecular Mass	516.1479
SMILES	O=C(C=Cc1ccc(O)c(O)c1)OC1CC(OC2OC(CO)C(O)C(O)C2O)(C(=O)O)CC(O)C1O
InChI Key	FSLTYKQABLWHFP-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acetals benzene and substituted derivatives carbonyl compounds carboxylic acids cyclohexanols dicarboxylic acids and derivatives enoate esters fatty acid esters fatty acyl glycosides of mono- and disaccharides hydrocarbon derivatives hydroxycinnamic acids monosaccharides organic oxides oxacyclic compounds oxanes primary alcohols quinic acids and derivatives
Substituents	fatty acyl fatty acyl glycoside of mono- or disaccharide monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound 1-hydroxy-2-unsubstituted benzenoid monosaccharide carboxylic acid derivative hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives saccharide organic oxide acetal oxane primary alcohol organoheterocyclic compound hydrolyzable tannin enoate ester alcohol fatty acyl glycoside cyclohexanol cyclitol or derivatives 1-hydroxy-4-unsubstituted benzenoid cyclic alcohol hydroxycinnamic acid oxacycle fatty acid ester organic oxygen compound carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organooxygen compound quinic acid

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