DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:02 UTC
Update Date	2025-03-25 00:53:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199038
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₀O₁₂
Molecular Mass	416.0955
SMILES	COc1cc(C=CC(=O)OC2C(O)C(O)C(C(O)O)OC2(O)C(=O)O)ccc1O
InChI Key	GSOJHQVEKDZDLP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbohydrates and carbohydrate conjugates
Direct Parent	glucuronic acid derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1,1-diols 1,2-diols 1-hydroxy-2-unsubstituted benzenoids alkyl aryl ethers alpha hydroxy acids and derivatives anisoles carbonyl compounds carbonyl hydrates carboxylic acids dicarboxylic acids and derivatives enoate esters fatty acid esters hemiacetals hydrocarbon derivatives hydroxycinnamic acids methoxybenzenes methoxyphenols monosaccharides organic oxides oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols
Substituents	fatty acyl phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives carbonyl hydrate aromatic heteromonocyclic compound alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid hydroxycinnamic acid or derivatives alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide hemiacetal oxane organoheterocyclic compound 1,2-diol enoate ester alcohol pyran carboxylic acid or derivatives hydroxy acid 1,1-diol methoxybenzene hydroxycinnamic acid oxacycle fatty acid ester pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

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