DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:15:27 UTC
Update Date	2025-03-25 00:59:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02236600
Frequency	0.5
Structure
Chemical Formula	C₁₀H₁₁NO₄S
Molecular Mass	241.0409
SMILES	COc1ccc2c(c1)c(S(=O)(=O)O)cn2C
InChI Key	ZPTFWOXXPROPRG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	organoheterocyclic compounds
Class	indoles and derivatives
Subclass	n-alkylindoles
Direct Parent	n-alkylindoles
Geometric Descriptor	aromatic heteropolycyclic compounds
Alternative Parents	alkyl aryl ethers anisoles arylsulfonic acids and derivatives azacyclic compounds heteroaromatic compounds hydrocarbon derivatives indoles n-methylpyrroles organic oxides organonitrogen compounds organopnictogen compounds organosulfonic acids substituted pyrroles sulfonyls
Substituents	phenol ether organosulfonic acid or derivatives n-methylpyrrole ether n-alkylindole indole organosulfonic acid substituted pyrrole alkyl aryl ether organosulfur compound organic oxide aromatic heteropolycyclic compound organonitrogen compound organopnictogen compound azacycle heteroaromatic compound sulfonyl organic oxygen compound arylsulfonic acid or derivatives organic sulfonic acid or derivatives anisole pyrrole hydrocarbon derivative benzenoid organic nitrogen compound organooxygen compound

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