DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:17:52 UTC
Update Date	2025-03-25 01:00:19 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02242109
Frequency	0.5
Structure
Chemical Formula	C₂₂H₂₈N₂O₃
Molecular Mass	368.21
SMILES	CC(C)CC(N=C(Cc1ccccc1)C(N)Cc1ccc(O)cc1)C(=O)O
InChI Key	VGLVREHMVLHSBQ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	lignans, neolignans and related compounds
Class	Not Available
Subclass	lignans, neolignans and related compounds
Direct Parent	lignans, neolignans and related compounds
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives benzene and substituted derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives leucine and derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds propargyl-type 1,3-dipolar organic compounds secondary ketimines
Substituents	ketimine monocyclic benzene moiety carbonyl group carboxylic acid imine 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives norlignan skeleton carboxylic acid derivative propargyl-type 1,3-dipolar organic compound secondary ketimine organic oxide leucine or derivatives organonitrogen compound alpha-amino acid organopnictogen compound amphetamine or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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