| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:14 UTC |
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| Update Date | 2025-03-25 00:49:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02176744 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H10O6S |
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| Molecular Mass | 294.0198 |
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| SMILES | O=C(OSc1ccc(O)cc1)c1c(O)cc(O)cc1O |
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| InChI Key | PMUFXZYBPQRICN-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 | salicylic acid and derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoic acids and derivativesbenzoyl derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganic thioperoxidesorganooxygen compoundsphloroglucinols and derivativessulfenyl compoundsvinylogous acids |
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| Substituents | sulfenyl compoundorganic thioperoxidebenzenetriolbenzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidorganosulfur compoundcarboxylic acid derivativephloroglucinol derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativesphenolhydrocarbon derivativeorganooxygen compound |
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