DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:37:13 UTC
Update Date	2025-03-21 17:57:36 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00008996
Frequency	538.4
Structure
Chemical Formula	C₁₆H₂₁NO₁₀
Molecular Mass	387.1165
SMILES	COc1cc(CC(N)C(=O)O)ccc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	VHVGMWZZADCFSJ-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	phenylalanine 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 monoalkylamines monosaccharides o-glucuronides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenoxy compounds 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 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 methoxylated amphetamine hydroxy acid methoxybenzene oxacycle phenylalanine or derivatives organic oxygen compound pyran anisole secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound phenoxy compound organooxygen compound

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