DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:37 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186773
Frequency	0.5
Structure
Chemical Formula	C₁₅H₁₁NO₅
Molecular Mass	285.0637
SMILES	Nc1ccccc1C(=O)OC(=O)c1ccccc1C(=O)O
InChI Key	GNSMTHDUQWDHJH-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzyloxycarbonyls
Direct Parent	benzyloxycarbonyls
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds amino acids benzoic acids benzoyl derivatives carboxylic acid anhydrides hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds primary amines tricarboxylic acids and derivatives vinylogous amides
Substituents	benzyloxycarbonyl carboxylic acid amino acid or derivatives amino acid benzoyl tricarboxylic acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide benzoic acid or derivatives aromatic homomonocyclic compound organic oxygen compound carboxylic acid anhydride hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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