DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:04:18 UTC
Update Date	2025-03-21 18:28:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00072453
Frequency	41.3
Structure
Chemical Formula	C₃₃H₃₇N₃O₅
Molecular Mass	555.2733
SMILES	CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccccc2N)n1CCC(O)CC(O)CC(=O)O
InChI Key	XVKFPTVLZJYWOW-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	amino acids amino fatty acids azacyclic compounds benzene and substituted derivatives beta hydroxy acids and derivatives carbonyl compounds carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds primary amines pyrrole carboxamides secondary alcohols secondary carboxylic acid amides substituted pyrroles vinylogous amides
Substituents	fatty acyl carbonyl group carboxylic acid aromatic heteromonocyclic compound pyrrole-3-carboxylic acid or derivatives amino acid or derivatives amino acid heterocyclic fatty acid fatty acid substituted pyrrole carboxylic acid derivative medium-chain hydroxy acid aromatic anilide beta-hydroxy acid organic oxide organonitrogen compound pyrrole-3-carboxamide organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound alcohol vinylogous amide azacycle heteroaromatic compound hydroxy acid carboxamide group amino fatty acid secondary carboxylic acid amide monocarboxylic acid or derivatives organic oxygen compound pyrrole secondary alcohol hydrocarbon derivative primary amine organic nitrogen compound amine organooxygen compound

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