DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:58 UTC
Update Date	2025-03-25 00:49:43 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02176118
Frequency	0.5
Structure
Chemical Formula	C₂₇H₃₃N₃O₄
Molecular Mass	463.2471
SMILES	Cc1c(C(C)C)c(C(O)=Nc2ccccc2O)c(-c2ccccc2)n1CCCCC(N)C(=O)O
InChI Key	KHKXRJYUQWMNTE-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	alpha amino acids
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids amino fatty acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidic acids carboxylic acids heteroaromatic compounds heterocyclic fatty acids hydrocarbon derivatives hydroxy fatty acids medium-chain fatty acids medium-chain hydroxy acids and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organonitrogen compounds organopnictogen compounds propargyl-type 1,3-dipolar organic compounds substituted pyrroles
Substituents	fatty acyl carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid aromatic heteromonocyclic compound heterocyclic fatty acid 1-hydroxy-2-unsubstituted benzenoid fatty acid substituted pyrrole medium-chain hydroxy acid propargyl-type 1,3-dipolar organic compound organic oxide organonitrogen compound alpha-amino acid organopnictogen compound medium-chain fatty acid hydroxy fatty acid organoheterocyclic compound azacycle heteroaromatic compound organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid amino fatty acid monocarboxylic acid or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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