| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:25:28 UTC |
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| Update Date | 2025-03-21 18:38:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00123433 |
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| Frequency | 20.9 |
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| Structure | |
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| Chemical Formula | C9H12O9S |
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| Molecular Mass | 296.0202 |
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| SMILES | O=S(=O)(O)OCOc1cc(C(O)CO)cc(O)c1O |
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| InChI Key | BZGQIQFNSUZOBX-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 homomonocyclic compounds |
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| Alternative Parents | 1,2-diols1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsalkyl sulfatesaromatic alcoholshydrocarbon derivativesorganic oxidesphenoxy compoundsprimary alcoholssecondary alcoholssulfuric acid monoesters |
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| Substituents | aromatic alcoholalcoholphenol ethermonocyclic benzene moietysulfuric acid monoesterorganic sulfuric acid or derivatives1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidaromatic homomonocyclic compoundorganic oxideorganic oxygen compoundalkyl sulfatesecondary alcoholsulfate-esterphenolhydrocarbon derivativephenoxy compoundsulfuric acid esterprimary alcoholorganooxygen compound1,2-diol |
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