DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:07:46 UTC
Update Date	2025-03-25 00:56:34 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02219311
Frequency	0.5
Structure
Chemical Formula	C₂₃H₃₀O₁₆
Molecular Mass	562.1534
SMILES	COc1cc(CC(OC2OC(C(=O)O)C(O)C(O)C2O)C(=O)OC2CC(O)(C(=O)O)CC(O)C2O)ccc1O
InChI Key	HZAGDICCRGEGFK-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 acetals alkyl aryl ethers alpha hydroxy acids and derivatives anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids cyclohexanols fatty acid esters glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxyphenols 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 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide tricarboxylic acid or derivatives alkyl aryl ether carboxylic acid derivative pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal oxane organoheterocyclic compound hydrolyzable tannin 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 phenol hydrocarbon derivative benzenoid phenoxy compound organooxygen compound quinic acid

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