DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:52:35 UTC
Update Date	2025-03-25 00:51:01 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02184329
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₃NO₆
Molecular Mass	255.0743
SMILES	NC(Cc1ccc(O)c(O)c1)C(=O)C(O)C(=O)O
InChI Key	BGFMLBWDWBJTNU-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1,3-dicarbonyl compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids acyloins alpha hydroxy acids and derivatives alpha-hydroxy ketones amino fatty acids benzene and substituted derivatives beta-hydroxy ketones beta-keto acids and derivatives carbocyclic fatty acids carboxylic acids fatty acyls hydrocarbon derivatives hydroxy fatty acids medium-chain keto acids and derivatives monoalkylamines monocarboxylic acids and derivatives monosaccharides organic oxides organonitrogen compounds organopnictogen compounds secondary alcohols
Substituents	fatty acyl beta-hydroxy ketone carbocyclic fatty acid carbonyl group carboxylic acid alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid monosaccharide alpha-hydroxy ketone carboxylic acid derivative beta-keto acid ketone saccharide organic oxide organonitrogen compound organopnictogen compound hydroxy fatty acid amphetamine or derivatives alcohol hydroxy acid 1-hydroxy-4-unsubstituted benzenoid amino fatty acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound keto acid acyloin secondary alcohol phenol hydrocarbon derivative primary aliphatic amine organic nitrogen compound 1,3-dicarbonyl compound organooxygen compound medium-chain keto acid

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