| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:01:53 UTC |
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| Update Date | 2025-03-25 00:54:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02205537 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H21NO7S |
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| Molecular Mass | 359.1039 |
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| SMILES | NCCSCc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)cc1 |
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| InChI Key | XXTXMFJOMFXCHG-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 | acetalsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdialkylthioethersglucuronic acid derivativeshydrocarbon derivativesmonoalkylaminesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssulfenyl compounds |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativessulfenyl compounddialkylthioetherhydroxy acidoxacyclemonocarboxylic acid or derivativesthioetherpyransecondary alcoholhydrocarbon derivativebenzenoidprimary aliphatic amineorganic nitrogen compoundphenoxy compound |
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