DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:39:15 UTC
Update Date	2025-03-21 17:58:20 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00013745
Frequency	323.9
Structure
Chemical Formula	C₁₆H₁₉NO₁₀
Molecular Mass	385.1009
SMILES	O=C(NC(Cc1ccccc1)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	LBCRPDXIMAHXFM-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 alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbamate esters carbonyl compounds carboxylic acids dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monosaccharides o-glucuronides organic carbonic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylpropanoic acids pyran carboxylic acids secondary alcohols
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid o-glucuronide monosaccharide pyran carboxylic acid 1-o-glucuronide beta-hydroxy acid saccharide organic oxide acetal organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives alcohol carbonic acid derivative pyran carboxylic acid or derivatives carbamic acid ester hydroxy acid oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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