DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 00:25:42 UTC
Update Date	2025-03-21 18:39:05 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00123924
Frequency	20.8
Structure
Chemical Formula	C₂₀H₂₂N₄O₃
Molecular Mass	366.1692
SMILES	NC(=NC(Cc1ccc(O)cc1)C(=O)O)C(N)Cc1c[nH]c2ccccc12
InChI Key	HCFCQOIVTIGFBZ-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic acids and derivatives
Class	carboxylic acids and derivatives
Subclass	amino acids, peptides, and analogues
Direct Parent	tyrosine and derivatives
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amidines amphetamines and derivatives azacyclic compounds benzene and substituted derivatives carbonyl compounds carboximidamides carboxylic acids heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrroles
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole 1-hydroxy-2-unsubstituted benzenoid amidine propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound organonitrogen compound alpha-amino acid organopnictogen compound organoheterocyclic compound amphetamine or derivatives tyrosine or derivatives azacycle heteroaromatic compound indole or derivatives organic 1,3-dipolar compound carboximidamide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole phenol hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound

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