| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:14 UTC |
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| Update Date | 2025-03-25 00:59:37 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02238358 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H9NO4S |
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| Molecular Mass | 239.0252 |
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| SMILES | O=C(O)C1=Nc2cc(O)c(O)cc2CSC1 |
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| InChI Key | YSKMRPCIOFSWHU-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 | phenols |
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| Subclass | 1-hydroxy-2-unsubstituted benzenoids |
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| Direct Parent | 1-hydroxy-2-unsubstituted benzenoids |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsbenzenoidscarbonyl compoundscarboxylic acidsdialkylthioethershydrocarbon derivativesketiminesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | ketiminecarbonyl groupcarboxylic acidazacycleiminedialkylthioether1-hydroxy-2-unsubstituted benzenoidorganic 1,3-dipolar compoundcarboxylic acid derivativepropargyl-type 1,3-dipolar organic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundthioetherorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganoheterocyclic compoundorganooxygen compound |
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