| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:57 UTC |
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| Update Date | 2025-03-25 00:50:24 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180682 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H14NO4S+ |
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| Molecular Mass | 292.0638 |
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| SMILES | Cc1c(CC(=O)O)sc[n+]1Cc1ccc(C(=O)O)cc1 |
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| InChI Key | GFYWVIPIDXBJLQ-UHFFFAOYSA-O |
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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 | benzoic acids |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 4,5-disubstituted thiazolesazacyclic compoundsbenzoyl derivativescarbonyl compoundscarboxylic acidsdicarboxylic acids and derivativesheteroaromatic compoundshydrocarbon derivativesorganic cationsorganic oxidesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | carbonyl groupcarboxylic acidaromatic heteromonocyclic compoundbenzoylcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationbenzoic acidorganoheterocyclic compoundazoleazacycleheteroaromatic compound4,5-disubstituted 1,3-thiazoleorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compoundthiazoleorganooxygen compound |
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