DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:08:16 UTC
Update Date	2025-03-25 00:56:45 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02220512
Frequency	0.5
Structure
Chemical Formula	C₁₂H₁₁NO₅S
Molecular Mass	281.0358
SMILES	O=C(O)CNc1cccc2cc(S(=O)(=O)O)ccc12
InChI Key	WWSAZUMINHKPDK-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	naphthalene sulfonic acids and derivatives
Direct Parent	2-naphthalene sulfonates
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-sulfo,2-unsubstituted aromatic compounds 2-naphthalene sulfonic acids and derivatives alpha amino acids amino acids arylsulfonic acids and derivatives carbonyl compounds carboxylic acids hydrocarbon derivatives monocarboxylic acids and derivatives organic oxides organopnictogen compounds organosulfonic acids secondary alkylarylamines sulfonyls
Substituents	organosulfonic acid or derivatives carbonyl group carboxylic acid amino acid or derivatives amino acid organosulfonic acid alpha-amino acid or derivatives organosulfur compound carboxylic acid derivative organic oxide organonitrogen compound alpha-amino acid organopnictogen compound 2-naphthalene sulfonate 1-sulfo,2-unsubstituted aromatic compound aromatic homopolycyclic compound secondary amine secondary aliphatic/aromatic amine 2-naphthalene sulfonic acid or derivatives monocarboxylic acid or derivatives sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

Showing information for DMID02220512