| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:22 UTC |
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| Update Date | 2025-03-25 00:47:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163297 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C7H7NO4S |
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| Molecular Mass | 201.0096 |
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| SMILES | O=C(O)C1=NC2C(SC1)C2C(=O)O |
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| InChI Key | DICCQVUTGPKOFK-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | cyclopropanecarboxylic acids and derivatives |
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| Direct Parent | cyclopropanecarboxylic acids |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundscarbonyl compoundscarboxylic acidsdialkylthioethersdicarboxylic acids and derivativeshydrocarbon derivativesketiminesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioetherorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundaliphatic heteropolycyclic compoundorganic oxideorganic oxygen compoundthioetherorganonitrogen compounddicarboxylic acid or derivativesorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcyclopropanecarboxylic acidorganoheterocyclic compoundorganooxygen compound |
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