DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:50:57 UTC
Update Date	2025-03-21 18:02:52 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00040809
Frequency	84.5
Structure
Chemical Formula	C₁₆H₁₉NO₁₁
Molecular Mass	401.0958
SMILES	O=C(NC(Cc1ccc(O)cc1)C(=O)O)OC1OC(C(=O)O)C(O)C(O)C1O
InChI Key	IKERHMKXVCQCEB-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	1-hydroxy-2-unsubstituted benzenoids 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 phenylalanine and derivatives 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 1-hydroxy-2-unsubstituted benzenoid 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 tyrosine or derivatives carbamic acid ester hydroxy acid oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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