DeepMet

Record Information
HMDB Status	Not Available
Creation Date	2024-02-21 14:51:29 UTC
Update Date	2025-03-25 00:50:35 UTC
HMDB ID	Not Available
Metabolite Identification
DeepMet ID	DMID02181914
Frequency	0.5
Structure
Chemical Formula	C₁₇H₁₃NO₅S
Molecular Mass	343.0514
SMILES	O=C(Nc1cccc2cccc(S(=O)(=O)O)c12)c1ccccc1O
InChI Key	FTZIABKJUFREKY-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 benzamides benzoyl derivatives carboxylic acids and derivatives hydrocarbon derivatives organic oxides organonitrogen compounds organooxygen compounds organopnictogen compounds organosulfonic acids salicylamides secondary carboxylic acid amides sulfonyls vinylogous acids
Substituents	organosulfonic acid or derivatives monocyclic benzene moiety organosulfonic acid benzoyl 1-hydroxy-2-unsubstituted benzenoid organosulfur compound carboxylic acid derivative benzamide 1-naphthalene sulfonic acid or derivatives 1-naphthalene sulfonate organic oxide organonitrogen compound organopnictogen compound 1-sulfo,2-unsubstituted aromatic compound benzoic acid or derivatives aromatic homopolycyclic compound 1-hydroxy-4-unsubstituted benzenoid carboxamide group salicylamide secondary carboxylic acid amide vinylogous acid sulfonyl organic oxygen compound arylsulfonic acid or derivatives salicylic acid or derivatives organic sulfonic acid or derivatives naphthalene sulfonate phenol hydrocarbon derivative organic nitrogen compound organooxygen compound

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