DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:39:18 UTC
Update Date	2025-03-25 00:46:15 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02154212
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₂N₂O₆S
Molecular Mass	288.0416
SMILES	COc1cc(S(N)(=O)=O)c(C(=O)O)cc1NC(C)=O
InChI Key	XBBVZLDTAICJKF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	benzene and substituted derivatives
Subclass	benzoic acids and derivatives
Direct Parent	acylaminobenzoic acid and derivatives
Geometric Descriptor	aromatic homomonocyclic compounds
Alternative Parents	1-carboxy-2-haloaromatic compounds acetamides acetanilides alkyl aryl ethers aminosulfonyl compounds anisoles benzenesulfonamides benzenesulfonyl compounds benzoic acids benzoyl derivatives carbonyl compounds hydrocarbon derivatives methoxybenzenes monocarboxylic acids and derivatives n-acetylarylamines organic oxides organopnictogen compounds organosulfonamides p-methoxybenzoic acids and derivatives phenoxy compounds secondary carboxylic acid amides
Substituents	phenol ether organosulfonic acid or derivatives carbonyl group ether carboxylic acid n-acetylarylamine benzoyl n-arylamide alkyl aryl ether organosulfur compound carboxylic acid derivative organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound 1-carboxy-2-haloaromatic compound benzoic acid acetamide benzenesulfonyl group acylaminobenzoic acid or derivatives benzenesulfonamide aminosulfonyl compound acetanilide carboxamide group methoxybenzene aromatic homomonocyclic compound anilide secondary carboxylic acid amide monocarboxylic acid or derivatives sulfonyl organic oxygen compound p-methoxybenzoic acid or derivatives organic sulfonic acid or derivatives anisole hydrocarbon derivative organic nitrogen compound phenoxy compound organooxygen compound

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