| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:02 UTC |
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| Update Date | 2025-03-25 00:45:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151219 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C15H22N2O9 |
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| Molecular Mass | 374.1325 |
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| SMILES | Cn1cnc(CC(O)CCC(=O)OC2OC(C(=O)O)C(O)C(O)C2O)c1 |
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| InChI Key | HRDFTZKYNRJIEZ-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 | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesfatty acid estersglucuronic acid derivativesheteroaromatic compoundshydrocarbon derivativesimidazolesmonosaccharidesn-substituted imidazolesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanespyran carboxylic acidssecondary alcohols |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidaromatic heteromonocyclic compoundo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalimidazoleorganonitrogen compoundorganopnictogen compoundoxaneorganoheterocyclic compoundazolen-substituted imidazolealcoholpyran carboxylic acid or derivativesazacycleheteroaromatic compoundhydroxy acidoxacyclefatty acid esterpyrancarboxylic acid estersecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativeorganic nitrogen compound |
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