DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:05:51 UTC
Update Date	2025-03-21 18:29:12 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00076194
Frequency	38.7
Structure
Chemical Formula	C₁₈H₂₂O₁₁
Molecular Mass	414.1162
SMILES	COc1cc(C=CC(=O)OC2OC(C(=O)O)C(OC)C(O)C2O)cc(OC)c1O
InChI Key	RMWREGDHKLXZHC-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	1,2-diols acetals alkyl aryl ethers anisoles carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives dimethoxybenzenes enoate esters fatty acid esters glucuronic acid derivatives hydrocarbon derivatives hydroxycinnamic acids 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 aromatic heteromonocyclic compound o-glucuronide methoxyphenol monosaccharide alkyl aryl ether carboxylic acid derivative pyran carboxylic acid dialkyl ether hydroxycinnamic acid or derivatives 1-o-glucuronide dimethoxybenzene alpha,beta-unsaturated carboxylic ester cinnamic acid or derivatives organic oxide acetal oxane organoheterocyclic compound 1,2-diol enoate ester alcohol pyran carboxylic acid or derivatives methoxybenzene hydroxycinnamic acid oxacycle fatty acid ester m-dimethoxybenzene pyran anisole carboxylic acid ester secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid phenoxy compound

Showing information for DMID00076194