| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:09 UTC |
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| Update Date | 2025-03-21 18:05:12 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00055401 |
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| Frequency | 57.8 |
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| Structure | |
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| Chemical Formula | C12H16O11S |
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| Molecular Mass | 368.0413 |
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| SMILES | O=S(=O)(O)OCC1OC(Oc2c(O)cccc2O)C(O)C(O)C1O |
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| InChI Key | BPUCKEGBHCGLCU-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 heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsalkyl sulfateshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteraromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharideresorcinolsaccharideorganic oxideacetalalkyl sulfateoxaneorganoheterocyclic compoundalcoholorganic sulfuric acid or derivatives1-hydroxy-4-unsubstituted benzenoidoxacycleorganic oxygen compoundsecondary alcoholsulfate-esterhydrocarbon derivativephenoxy compoundsulfuric acid esterorganooxygen compound |
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