DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 15:00:22 UTC
Update Date	2025-03-25 00:53:48 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02202103
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₆N₂O₃S
Molecular Mass	328.0882
SMILES	COc1ccccc1Nc1cccc2cccc(S(N)(=O)=O)c12
InChI Key	OHOKGSCFEDRZGF-UHFFFAOYSA-N
Chemical Taxonomy
Kingdom	organic compounds
Superclass	benzenoids
Class	naphthalenes
Subclass	naphthalene sulfonic acids and derivatives
Direct Parent	1-naphthalene sulfonic acids and derivatives
Geometric Descriptor	aromatic homopolycyclic compounds
Alternative Parents	1-naphthalene sulfonamides alkyl aryl ethers aminosulfonyl compounds anisoles hydrocarbon derivatives methoxybenzenes organic oxides organopnictogen compounds organosulfonamides phenoxy compounds secondary amines
Substituents	phenol ether organosulfonic acid or derivatives monocyclic benzene moiety ether alkyl aryl ether organosulfur compound 1-naphthalene sulfonic acid or derivatives organosulfonic acid amide organic oxide organonitrogen compound organopnictogen compound aminosulfonyl compound aromatic homopolycyclic compound naphthalene sulfonamide secondary amine methoxybenzene sulfonyl organic oxygen compound organic sulfonic acid or derivatives anisole hydrocarbon derivative organic nitrogen compound phenoxy compound 1-naphthalene sulfonamide organooxygen compound amine

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