DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-20 23:51:57 UTC
Update Date	2025-03-21 18:03:16 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID00043206
Frequency	78.8
Structure
Chemical Formula	C₁₆H₁₃NO₄S
Molecular Mass	315.0565
SMILES	O=S(=O)(O)c1cccc2cccc(Nc3ccccc3O)c12
InChI Key	KDGKNHAYZCLMGX-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-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids 1-naphthalene sulfonates 1-sulfo,2-unsubstituted aromatic compounds arylsulfonic acids and derivatives benzene and substituted derivatives hydrocarbon derivatives organic oxides organooxygen compounds organopnictogen compounds organosulfonic acids secondary amines sulfonyls
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety organosulfonic acid 1-hydroxy-2-unsubstituted benzenoid organosulfur compound 1-naphthalene sulfonic acid or derivatives 1-naphthalene sulfonate organic oxide organonitrogen compound organopnictogen compound 1-sulfo,2-unsubstituted aromatic compound aromatic homopolycyclic compound 1-hydroxy-4-unsubstituted benzenoid secondary amine sulfonyl arylsulfonic acid or derivatives organic oxygen compound organic sulfonic acid or derivatives naphthalene sulfonate phenol hydrocarbon derivative organic nitrogen compound organooxygen compound amine

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