DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:37:24 UTC
Update Date	2025-03-25 00:45:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02149723
Frequency	0.5
Structure
Chemical Formula	C₂₁H₂₈N₂O₄
Molecular Mass	372.2049
SMILES	CCCCCC(Cc1ccc(O)c(O)c1)N=CC=C1C=C(C(=O)O)NCC1
InChI Key	CDKLSOVHOPYAPA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic heteromonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids aldimines alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds tetrahydropyridines
Substituents	carbonyl group carboxylic acid aromatic heteromonocyclic compound amino acid or derivatives amino acid imine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound aldimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle tetrahydropyridine organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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