DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:56 UTC
Update Date	2025-03-25 00:53:40 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201162
Frequency	0.5
Structure
Chemical Formula	C₁₉H₂₃NO₁₁
Molecular Mass	441.1271
SMILES	COc1cc(C=CC(=O)OC2OC(C(=O)O)C(NC(C)=O)C(O)C2O)cc(OC)c1O
InChI Key	JOWAQEDVNUFCJK-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	1,2-diols acetals acetamides alkyl aryl ethers anisoles carbonyl compounds carboxylic acids dicarboxylic acids and derivatives dimethoxybenzenes enoate esters fatty acid esters hydrocarbon derivatives hydroxycinnamic acids methoxyphenols monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds pyran carboxylic acids secondary alcohols secondary carboxylic acid amides
Substituents	phenol ether monocyclic benzene moiety carboxylic acid methoxyphenol monosaccharide pyran carboxylic acid alpha,beta-unsaturated carboxylic ester acetal organonitrogen compound oxane organoheterocyclic compound acetamide 1,2-diol enoate ester alcohol methoxybenzene secondary carboxylic acid amide fatty acid ester m-dimethoxybenzene anisole carboxylic acid ester dicarboxylic acid or derivatives phenol hydrocarbon derivative phenoxy compound fatty acyl carbonyl group ether glucuronic acid or derivatives aromatic heteromonocyclic compound alkyl aryl ether carboxylic acid derivative hydroxycinnamic acid or derivatives dimethoxybenzene cinnamic acid or derivatives organic oxide organopnictogen compound pyran carboxylic acid or derivatives carboxamide group hydroxycinnamic acid oxacycle pyran secondary alcohol benzenoid organic nitrogen compound

Showing information for DMID02201162