| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:45 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184717 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16O7S |
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| Molecular Mass | 304.0617 |
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| SMILES | OCC1OC(Sc2ccc(O)c(O)c2)C(O)C(O)C1O |
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| InChI Key | IHYHHCSPLLLMIE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organosulfur compounds |
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| Class | thioethers |
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| Subclass | aryl thioethers |
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| Direct Parent | aryl thioethers |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzene and substituted derivativeshydrocarbon derivativesmonosaccharidesoxacyclic compoundsoxanesprimary alcoholssecondary alcoholssulfenyl compounds |
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| Substituents | alcoholmonocyclic benzene moietysulfenyl compoundaromatic heteromonocyclic compound1-hydroxy-2-unsubstituted benzenoidmonosaccharide1-hydroxy-4-unsubstituted benzenoidaryl thioetheroxacyclesaccharideorganic oxygen compoundsecondary alcoholphenolhydrocarbon derivativebenzenoidoxaneprimary alcoholorganoheterocyclic compoundorganooxygen compound |
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