DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:09 UTC
Update Date	2025-03-25 00:53:44 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02201613
Frequency	0.5
Structure
Chemical Formula	C₂₄H₃₃N₃O₆
Molecular Mass	459.2369
SMILES	Cc1c(C(=O)Nc2ccc(O)cc2)c(C(C)C)n(CCCCC(N)C(=O)O)c1CCC(=O)O
InChI Key	RPHXWISCAJWTQC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	anilides
Direct Parent	aromatic anilides
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amino fatty acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dicarboxylic acids and derivatives heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines organic oxides organonitrogen compounds organopnictogen compounds pyrrole carboxamides secondary carboxylic acid amides substituted pyrroles vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid alpha-amino acid or derivatives substituted pyrrole carboxylic acid derivative medium-chain hydroxy acid aromatic anilide organic oxide organonitrogen compound pyrrole-3-carboxamide alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound vinylogous amide azacycle heteroaromatic compound carboxamide group amino fatty acid secondary carboxylic acid amide organic oxygen compound pyrrole dicarboxylic acid or derivatives phenol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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