DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:16 UTC
Update Date	2025-03-21 18:38:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00122985
Frequency	21.0
Structure
Chemical Formula	C₁₆H₂₁NO₁₀
Molecular Mass	387.1165
SMILES	COc1cc(CC(N)C(=O)O)ccc1OC1C(O)OC(C(=O)O)C(O)C1O
InChI Key	UBCRRZCDHALTHW-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	1,2-diols alkyl aryl ethers alpha amino acids anisoles beta hydroxy acids and derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hemiacetals hydrocarbon derivatives methoxybenzenes methoxylated amphetamines monoalkylamines monosaccharides 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 monosaccharide alkyl aryl ether pyran carboxylic acid beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal oxane amphetamine or derivatives organoheterocyclic compound 1,2-diol 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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