| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:37:08 UTC |
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| Update Date | 2025-03-25 00:45:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02149101 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C24H26O9S |
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| Molecular Mass | 490.1298 |
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| SMILES | O=C1CSC(Cc2cccc(O)c2)C1Cc1cccc(OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | XLIXDYYZBDNXRE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbohydrates and carbohydrate conjugates |
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| Direct Parent | o-glucuronides |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsacetalsbeta hydroxy acids and derivativescarboxylic acidscyclic ketonesdialkylthioethersglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholsthiolanes |
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| Substituents | thiolanephenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecyclic ketonecarboxylic acid derivativepyran carboxylic acidketone1-o-glucuronidebeta-hydroxy acidorganic oxideacetaloxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesdialkylthioetherhydroxy acid1-hydroxy-4-unsubstituted benzenoidoxacyclemonocarboxylic acid or derivativesthioetherpyransecondary alcoholphenolhydrocarbon derivativebenzenoidphenoxy compound |
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