DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:42:28 UTC
Update Date	2025-03-25 00:47:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02161216
Frequency	0.5
Structure
Chemical Formula	C₂₀H₂₀N₄O₅
Molecular Mass	396.1434
SMILES	NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1cccc([N+](=O)[O-])c1)C(=O)O
InChI Key	ORDVSZWNAKYLDB-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	dipeptides
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alpha amino acid amides alpha amino acids amphetamines and derivatives azacyclic compounds carbonyl compounds carboxylic acids fatty amides heteroaromatic compounds hydrocarbon derivatives indoles monoalkylamines monocarboxylic acids and derivatives n-acyl-alpha amino acids nitroaromatic compounds nitrobenzenes organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds pyrroles secondary carboxylic acid amides
Substituents	fatty acyl monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid indole allyl-type 1,3-dipolar organic compound fatty amide alpha-amino acid or derivatives organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide aromatic heteropolycyclic compound c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium organoheterocyclic compound amphetamine or derivatives nitrobenzene n-acyl-alpha amino acid or derivatives nitroaromatic compound alpha-amino acid amide azacycle n-acyl-alpha-amino acid heteroaromatic compound indole or derivatives organic 1,3-dipolar compound carboxamide group alpha-dipeptide secondary carboxylic acid amide monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound pyrrole hydrocarbon derivative benzenoid primary aliphatic amine organic nitrogen compound organooxygen compound organic hyponitrite

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