DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:59 UTC
Update Date	2025-03-25 00:46:32 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02155786
Frequency	0.5
Structure
Chemical Formula	C₁₁H₁₅N₂O₈S+
Molecular Mass	335.0544
SMILES	C[N+](C)(C(Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)O)S(=O)(=O)O
InChI Key	XAIYQUCVXJSLKO-UHFFFAOYSA-O
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 carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives nitroaromatic compounds nitrobenzenes nitrophenols organic cations organic oxides organic oxoanionic compounds organic oxoazanium compounds organic sulfuric acids and derivatives organonitrogen compounds organopnictogen compounds phenylalanine and derivatives phenylpropanoic acids
Substituents	monocyclic benzene moiety carbonyl group carboxylic acid 3-phenylpropanoic-acid 1-hydroxy-2-unsubstituted benzenoid organic nitro compound organic oxide c-nitro compound organonitrogen compound alpha-amino acid organopnictogen compound organic cation organic oxoazanium nitrophenol amphetamine or derivatives nitrobenzene nitroaromatic compound organic sulfuric acid or derivatives tyrosine or derivatives aromatic homomonocyclic compound monocarboxylic acid or derivatives phenylalanine or derivatives organic oxygen compound phenol hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound organic hyponitrite

Showing information for DMID02155786