| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:51:26 UTC |
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| Update Date | 2025-03-21 18:03:03 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00041953 |
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| Frequency | 81.6 |
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| Structure | |
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| Chemical Formula | C12H16O9S |
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| Molecular Mass | 336.0515 |
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| SMILES | O=S(=O)(O)OCC1OC(Oc2ccccc2)C(O)C(O)C1O |
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| InChI Key | OJGNUJIVIQXMCX-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 | phenol ethers |
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| Subclass | phenol ethers |
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| Direct Parent | phenol ethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | acetalsalkyl sulfateshydrocarbon derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenoxy compoundssecondary alcoholssulfuric acid monoesters |
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| Substituents | alcoholphenol ethermonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundmonosaccharideoxacyclesaccharideorganic oxideorganic oxygen compoundacetalalkyl sulfatesecondary alcoholsulfate-esterhydrocarbon derivativephenoxy compoundoxanesulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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