DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:56:33 UTC
Update Date	2025-03-25 00:52:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02193328
Frequency	0.5
Structure
Chemical Formula	C₁₇H₂₂N₂O₆
Molecular Mass	350.1478
SMILES	CCCCCC=CC(O)=NC(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O
InChI Key	IYYPGEJVJJUEKN-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 homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids alpha amino acids amphetamines and derivatives carbonyl compounds carboximidic acids carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes nitrophenols organic oxides organic oxoanionic compounds organic oxoazanium compounds organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids propargyl-type 1,3-dipolar organic compounds
Substituents	carboximidic acid monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid allyl-type 1,3-dipolar organic compound 1-hydroxy-2-unsubstituted benzenoid organic nitro compound propargyl-type 1,3-dipolar organic compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic oxoazanium nitrophenol amphetamine or derivatives nitrobenzene nitroaromatic compound tyrosine or derivatives organic 1,3-dipolar compound aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

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