DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:09:32 UTC
Update Date	2025-03-25 00:57:13 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02223419
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₉NO₈
Molecular Mass	341.1111
SMILES	NC(Cc1ccccc1)C(=O)OC1C(O)C(O)OC(C(=O)O)C1O
InChI Key	KRUXCSQBVYBFQQ-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	alpha-amino acyl ester of carbohydrates
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	alpha amino acids amphetamines and derivatives benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acid esters carboxylic acids dicarboxylic acids and derivatives fatty acid esters glucuronic acid derivatives hemiacetals hydrocarbon derivatives monoalkylamines monosaccharides organic oxides organonitrogen compounds organopnictogen compounds oxacyclic compounds oxanes phenylalanine and derivatives pyran carboxylic acids secondary alcohols
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid glucuronic acid or derivatives aromatic heteromonocyclic compound monosaccharide pyran carboxylic acid beta-hydroxy acid saccharide organic oxide organonitrogen compound alpha-amino acid organopnictogen compound hemiacetal oxane organoheterocyclic compound amphetamine or derivatives alcohol pyran carboxylic acid or derivatives hydroxy acid oxacycle fatty acid ester phenylalanine or derivatives organic oxygen compound pyran carboxylic acid ester alpha-amino acyl ester of carbohydrate secondary alcohol dicarboxylic acid or derivatives hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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