DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:07:58 UTC
Update Date	2025-03-21 18:30:10 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00081319
Frequency	35.6
Structure
Chemical Formula	C₁₅H₂₂N₂O₄
Molecular Mass	294.158
SMILES	CC(C)CC(=NC(O)C(=O)O)C(N)Cc1ccc(O)cc1
InChI Key	YQZUVXZUZSSNJI-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 alkanolamines alpha amino acids alpha hydroxy acids and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary ketimines
Substituents	ketimine carbonyl group carboxylic acid imine alpha-hydroxy acid 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives carboxylic acid derivative propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives alkanolamine organic 1,3-dipolar compound hydroxy acid aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative primary aliphatic amine organic nitrogen compound organooxygen compound

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