| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:53 UTC |
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| Update Date | 2025-03-25 00:49:41 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175921 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H17N3O10P2 |
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| Molecular Mass | 413.0389 |
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| SMILES | Cn1ccc2ncn(C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)c21 |
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| InChI Key | OBTJYQUWFGOBHK-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 | pentose phosphates |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1,2-diolsazacyclic compoundsheteroaromatic compoundshydrocarbon derivativesimidazolesmonoalkyl phosphatesmonosaccharidesn-methylpyrrolesn-substituted imidazolesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundssecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | n-methylpyrrolepentose phosphatepentose-5-phosphatesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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