| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:16 UTC |
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| Update Date | 2025-03-25 00:47:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02163062 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O9S |
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| Molecular Mass | 334.0359 |
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| SMILES | O=C(CCC(=O)OCOS(=O)(=O)O)Cc1ccc(O)cc1O |
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| InChI Key | AFVOTPKOEFUHLR-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 | benzenediols |
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| Direct Parent | resorcinols |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesbenzene and substituted derivativescarboxylic acid estersfatty acid estersgamma-keto acids and derivativeshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidessulfuric acid monoesters |
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| Substituents | fatty acylmonocyclic benzene moietysulfuric acid monoestercarbonyl group1-hydroxy-2-unsubstituted benzenoidcarboxylic acid derivativeresorcinolketoneorganic oxidealkyl sulfateorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidgamma-keto acidaromatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesorganic oxygen compoundketo acidcarboxylic acid estersulfate-esterhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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