| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:57:54 UTC |
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| Update Date | 2025-03-21 18:05:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00057175 |
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| Frequency | 55.5 |
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| Structure | |
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| Chemical Formula | C12H16O8S |
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| Molecular Mass | 320.0566 |
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| SMILES | O=S(=O)(O)OCOc1cc(CC2CCCO2)cc(O)c1O |
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| InChI Key | PJRKDFPQTWBORD-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesdialkyl ethershydrocarbon derivativesorganic oxidesoxacyclic compoundsphenoxy compoundssulfuric acid monoesterstetrahydrofurans |
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| Substituents | phenol ethermonocyclic benzene moietysulfuric acid monoesteretherorganic sulfuric acid or derivativesaromatic heteromonocyclic compoundtetrahydrofuran1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoiddialkyl etheroxacycleorganic oxideorganic oxygen compoundalkyl sulfatesulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterorganoheterocyclic compoundorganooxygen compound |
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