DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:27:47 UTC
Update Date	2025-03-21 18:40:11 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00128934
Frequency	19.8
Structure
Chemical Formula	C₁₈H₂₀N₂O₇
Molecular Mass	376.1271
SMILES	O=CC(Cc1ccc(O)c(O)c1)N=CC=C1CC(C(=O)O)NC(C(=O)O)C1
InChI Key	GRZHEUJNTPPDRL-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 aldehydes aldimines alpha amino acids amino acids azacyclic compounds benzene and substituted derivatives carboxylic acids dialkylamines dicarboxylic acids and derivatives hydrocarbon derivatives organic oxides organopnictogen compounds piperidinecarboxylic acids piperidines propargyl-type 1,3-dipolar organic compounds
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 piperidinecarboxylic acid piperidine organoheterocyclic compound amphetamine or derivatives secondary aliphatic amine azacycle aldehyde organic 1,3-dipolar compound 1-hydroxy-4-unsubstituted benzenoid secondary amine organic oxygen compound dicarboxylic acid or derivatives phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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