| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:59:18 UTC |
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| Update Date | 2025-03-25 00:53:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02199655 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N3O9P |
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| Molecular Mass | 389.0624 |
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| SMILES | Cn1c(=O)c2cccnc2n(C2OC(COP(=O)(O)O)C(O)C2O)c1=O |
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| InChI Key | WSPOTNPHLVCNTD-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-diols2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmethylpyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyrido[2,3-d]pyrimidinespyrimidonessecondary alcoholstetrahydrofuransureasvinylogous amides |
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| Substituents | lactampentose phosphatepolyhalopyridinepentose-5-phosphatepyrimidonepyrimidineureaorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundpyridopyrimidineorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundhydroxypyridinemethylpyridineoxacyclepyridinepyrido[2,3-d]pyrimidinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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