| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:09:36 UTC |
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| Update Date | 2025-03-25 00:57:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02223572 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26N2O12 |
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| Molecular Mass | 462.1486 |
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| SMILES | NC(=O)C1=CN(C2OC(COC3OC(C(=O)O)C(O)C(O)C3O)C(O)C(O)C2O)C=CC1 |
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| InChI Key | ILAXQGVQJRYBJE-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 | aliphatic heteromonocyclic compounds |
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| Alternative Parents | acetalsazacyclic compoundsbeta hydroxy acids and derivativescarbonyl compoundscarboxylic acidsdihydropyridinesenaminesglucuronic acid derivativeshydrocarbon derivativesmonocarboxylic acids and derivativesmonosaccharidesn-substituted nicotinamidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsoxanesprimary carboxylic acid amidespyran carboxylic acidssecondary alcoholsvinylogous amides |
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| Substituents | primary carboxylic acid amidecarbonyl groupcarboxylic acidnicotinamideo-glucuronidemonosaccharidecarboxylic acid derivativepyran carboxylic acid1-o-glucuronidebeta-hydroxy acidorganic oxideacetalaliphatic heteromonocyclic compoundorganonitrogen compoundorganopnictogen compounddihydropyridineoxaneorganoheterocyclic compoundalcoholvinylogous amidepyran carboxylic acid or derivativesazacyclehydroxy acidcarboxamide groupn-substituted nicotinamideoxacyclemonocarboxylic acid or derivativespyransecondary alcoholhydrocarbon derivativeorganic nitrogen compoundenamine |
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