DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:59:08 UTC
Update Date	2025-03-25 00:53:22 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02199251
Frequency	0.5
Structure
Chemical Formula	C₁₄H₁₈N₂O₃S
Molecular Mass	294.1038
SMILES	CN(C)CCOc1cccc2ccc(S(N)(=O)=O)cc12
InChI Key	GUDJGOZEEJERQG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	naphthalene sulfonic acids and derivatives
Direct Parent	2-naphthalene sulfonamides
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	2-naphthalene sulfonic acids and derivatives alkyl aryl ethers aminosulfonyl compounds hydrocarbon derivatives organic oxides organopnictogen compounds organosulfonamides phenol ethers trialkylamines
Substituents	phenol ether organosulfonic acid or derivatives ether alkyl aryl ether organosulfur compound 2-naphthalene sulfonamide organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound tertiary amine aminosulfonyl compound tertiary aliphatic amine aromatic homopolycyclic compound 2-naphthalene sulfonic acid or derivatives sulfonyl organic oxygen compound organic sulfonic acid or derivatives hydrocarbon derivative organic nitrogen compound amine organooxygen compound

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