DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:53:34 UTC
Update Date	2025-03-25 00:51:24 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02186661
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₂O₇S
Molecular Mass	304.0365
SMILES	Nc1c(O)ccc(S(=O)(=O)O)c1C(=O)CC(N)C(=O)O
InChI Key	CNBNBTNLJKCJQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organic oxygen compounds
Class	organooxygen compounds
Subclass	carbonyl compounds
Direct Parent	alkyl-phenylketones
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-hydroxy-2-unsubstituted benzenoids 1-sulfo,2-unsubstituted aromatic compounds alpha amino acids amino acids aryl alkyl ketones arylsulfonic acids and derivatives benzenesulfonic acids and derivatives benzenesulfonyl compounds benzoyl derivatives butyrophenones carboxylic acids gamma-keto acids and derivatives hydrocarbon derivatives monoalkylamines monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids sulfonyls vinylogous amides
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety carboxylic acid aryl alkyl ketone amino acid or derivatives amino acid organosulfonic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid alpha-amino acid or derivatives benzenesulfonate organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound benzenesulfonyl group vinylogous amide 1-sulfo,2-unsubstituted aromatic compound gamma-keto acid butyrophenone aromatic homomonocyclic compound monocarboxylic acid or derivatives sulfonyl arylsulfonic acid or derivatives organic sulfonic acid or derivatives keto acid phenol hydrocarbon derivative benzenoid primary aliphatic amine primary amine organic nitrogen compound amine alkyl-phenylketone

Showing information for DMID02186661