| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:51 UTC |
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| Update Date | 2025-03-25 00:51:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184958 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H13N2O8P |
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| Molecular Mass | 332.041 |
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| SMILES | N#Cc1cccn(C2OC(COP(=O)(O)O)C(O)C2O)c1=O |
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| InChI Key | KQLUIQMAIURVMS-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols3-pyridinecarbonitrilesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonosaccharidesnitrilesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridinonessecondary alcoholstetrahydrofurans |
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| Substituents | nitrilelactamaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphateorganic oxide3-pyridinecarbonitrileorganonitrogen compoundorganopnictogen compoundcarbonitrileorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativealkyl phosphate |
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