| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:16:50 UTC |
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| Update Date | 2025-03-25 00:59:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02239706 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H17NO10S |
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| Molecular Mass | 415.0573 |
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| SMILES | O=C1NC(=O)C(Cc2ccc(O)c(OC3OC(C(=O)O)C(O)C(O)C3O)c2)S1 |
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| InChI Key | UYRFFICFBZTDTH-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 benzenoidsacetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdicarboximidesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesphenol ethersphenoxy compoundspyran carboxylic acidssecondary alcoholsthiazolidinedionesthiazolidinesthiolactones |
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| Substituents | phenol ethermonocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronide1-hydroxy-2-unsubstituted benzenoidmonosaccharidecarboxylic acid derivativepyran carboxylic acidthiazolidinedione1-o-glucuronidebeta-hydroxy acidorganic oxideacetalorganonitrogen compoundorganopnictogen compounddicarboximideoxanethiolactoneorganoheterocyclic compoundalcoholcarbonic acid derivativepyran carboxylic acid or derivativesazacyclehydroxy acidoxacyclemonocarboxylic acid or derivativespyransecondary alcoholphenolhydrocarbon derivativebenzenoidorganic nitrogen compoundphenoxy compoundthiazolidine |
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