DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:06 UTC
Update Date	2025-03-25 00:59:57 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240333
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₉
Molecular Mass	357.106
SMILES	NC(Cc1ccc(O)c(C2OC(C(=O)O)C(O)C(O)C2O)c1)C(=O)O
InChI Key	BUQRCPRWOJIQAT-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 alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives c-glucuronides carbonyl compounds carboxylic acids dialkyl ethers dicarboxylic acids and derivatives glucuronic acid derivatives hydrocarbon derivatives monoalkylamines monosaccharides 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 ether carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide pyran carboxylic acid dialkyl ether beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound oxane organoheterocyclic compound amphetamine or derivatives c-glucuronide alcohol pyran carboxylic acid or derivatives tyrosine or derivatives hydroxy acid oxacycle phenylalanine or derivatives organic oxygen compound pyran secondary alcohol dicarboxylic acid or derivatives phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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