| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:13 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208632 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16O6S |
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| Molecular Mass | 276.0668 |
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| SMILES | CC(C)(C)c1cccc(O)c1C(O)OS(=O)(=O)O |
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| InChI Key | JKPXDCNXMLMVGE-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesorganooxygen compoundssulfuric acid monoesters |
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| Substituents | aromatic alcoholsulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidphenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativesulfuric acid esterorganooxygen compound |
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