| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:43:08 UTC |
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| Update Date | 2025-03-25 00:47:35 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02162727 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H19NO11S |
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| Molecular Mass | 421.0679 |
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| SMILES | O=C(CCS(=O)(=O)O)Nc1ccccc1OC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | VZNCDCNXGUNOBP-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 | acetalsanilidesbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-arylamidesorganic oxidesorganopnictogen compoundsorganosulfonic acidsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholssecondary carboxylic acid amidessulfonyls |
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| Substituents | phenol etherorganosulfonic acid or derivativesmonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundorganosulfonic acido-glucuronidemonosacchariden-arylamideorganosulfur compoundcarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativeshydroxy acidcarboxamide groupanilideoxacyclesecondary carboxylic acid amidemonocarboxylic acid or derivativessulfonylorganic sulfonic acid or derivativespyransecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compound |
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