DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:00 UTC
Update Date	2025-03-25 00:59:55 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02240091
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₆
Molecular Mass	310.1165
SMILES	NC(CCCCNc1ccc(C(=O)O)cc1C(=O)O)C(=O)O
InChI Key	ZZQZDLYSOVXHSL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	m-phthalic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds alpha amino acids amino acids benzoic acids benzoyl derivatives carbonyl compounds hydrocarbon derivatives monoalkylamines organic oxides organopnictogen compounds phenylalkylamines secondary alkylarylamines tricarboxylic acids and derivatives vinylogous amides
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid benzoyl tricarboxylic acid or derivatives alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound meta_phthalic_acid 1-carboxy-2-haloaromatic compound benzoic acid vinylogous amide secondary amine secondary aliphatic/aromatic amine aromatic homomonocyclic compound organic oxygen compound phenylalkylamine hydrocarbon derivative primary aliphatic amine organic nitrogen compound amine organooxygen compound

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