DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:48:25 UTC
Update Date	2025-03-25 00:49:31 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02174825
Frequency	0.5
Structure
Chemical Formula	C₁₆H₂₃NO₄
Molecular Mass	293.1627
SMILES	CCCC=CCC(Cc1ccc(O)c(O)c1)NCC(=O)O
InChI Key	AWICNLDBPPSFJP-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	phenethylamines
Direct Parent	amphetamines and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids alpha amino acids amino acids benzene and substituted derivatives carbonyl compounds carboxylic acids dialkylamines hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds
Substituents	carbonyl group carboxylic acid amino acid or derivatives amino acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives secondary aliphatic amine 1-hydroxy-4-unsubstituted benzenoid secondary amine aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

Showing information for DMID02174825