DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:28:17 UTC
Update Date	2025-03-21 18:40:27 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00130132
Frequency	19.5
Structure
Chemical Formula	C₁₆H₂₁NO₁₁
Molecular Mass	403.1115
SMILES	COc1cc(CC(N)C(=O)O)cc(OC2OC(C(=O)O)C(O)C(O)C2O)c1O
InChI Key	HFOQCAVCCMTIJV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	acetals alkyl aryl ethers alpha amino acids anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives methoxybenzenes methoxylated amphetamines methoxyphenols monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds phenylalanine and derivatives phenylpropanoic acids pyran carboxylic acids secondary alcohols
Substituents	phenol ether monocyclic benzene moiety carbonyl group ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid o-glucuronide methoxyphenol monosaccharide alkyl aryl ether pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane amphetamine or derivatives organoheterocyclic compound alcohol pyran carboxylic acid or derivatives tyrosine or derivatives methoxylated amphetamine hydroxy acid methoxybenzene oxacycle phenylalanine or derivatives organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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