| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:21 UTC |
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| Update Date | 2025-03-25 00:47:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02158772 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O6S |
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| Molecular Mass | 288.0668 |
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| SMILES | Oc1ccc(SCC2OC(O)C(O)C(O)C2O)cc1 |
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| InChI Key | OWQHRHQLXFCGBN-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 | thiophenols |
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| Subclass | thiophenols |
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| Direct Parent | thiophenols |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersbenzene and substituted derivativeshemiacetalshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanessecondary alcoholssulfenyl compoundsthiophenol ethers |
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| Substituents | alcoholmonocyclic benzene moietysulfenyl compoundaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharidealkylarylthioetherorganosulfur compoundaryl thioetheroxacyclesaccharidethiophenolorganic oxygen compoundthioetherthiophenol ethersecondary alcoholphenolhemiacetalhydrocarbon derivativeoxaneorganoheterocyclic compoundorganooxygen compound |
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