| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:50 UTC |
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| Update Date | 2025-03-21 18:35:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105026 |
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| Frequency | 25.8 |
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| Structure | |
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| Chemical Formula | C14H19NO9 |
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| Molecular Mass | 345.106 |
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| SMILES | O=Cc1ccc(CO)n1CCOC1OC(C(=O)O)C(O)C(O)C1O |
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| InChI Key | OITPRSRFNULQHY-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 | acetalsaromatic alcoholsaryl-aldehydesazacyclic compoundsbeta hydroxy acids and derivativescarboxylic acidsglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcoholssubstituted pyrroles |
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| Substituents | aromatic alcoholcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidesubstituted pyrrolecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxidearyl-aldehydeacetalorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundalcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundaldehydehydroxy acidoxacyclemonocarboxylic acid or derivativespyranpyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compound |
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