| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:54 UTC |
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| Update Date | 2025-03-25 00:59:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237621 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H9NO5S |
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| Molecular Mass | 231.0201 |
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| SMILES | Nc1cc(CC(=O)O)cc(S(=O)O)c1O |
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| InChI Key | BXGOZHKKIYIIOP-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 | phenols |
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| Direct Parent | phenols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | amino acidsbenzene and substituted derivativescarbonyl compoundscarboxylic acidshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganopnictogen compoundsorganosulfur compoundsprimary aminessulfinic acids |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidamino acid or derivativesamino acidsulfinic acid derivativeorganosulfur compoundcarboxylic acid derivativesulfinic acidaromatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativeprimary amineorganic nitrogen compoundamineorganooxygen compound |
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