| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:00:34 UTC |
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| Update Date | 2025-03-25 00:53:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02202512 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H10N2O3S |
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| Molecular Mass | 250.0412 |
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| SMILES | O=C(O)c1ccc(S(=O)Cc2c[nH]cn2)cc1 |
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| InChI Key | JLYALUUQLKWESU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | p-sulfanylbenzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzoic acidsbenzoyl derivativescarboxylic acidsheteroaromatic compoundshydrocarbon derivativesimidazolesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsphenyl sulfoxidessulfinyl compoundssulfoxides |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundbenzoylorganosulfur compoundcarboxylic acid derivativeorganic oxidephenyl sulfoxidesulfinyl compoundimidazoleorganonitrogen compoundorganopnictogen compoundbenzoic acidorganoheterocyclic compoundazoleazacycleheteroaromatic compoundp-sulfanylbenzoic acidmonocarboxylic acid or derivativesorganic oxygen compoundsulfoxidehydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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