| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:20:19 UTC |
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| Update Date | 2025-03-25 01:01:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02247847 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N2O10P2 |
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| Molecular Mass | 410.028 |
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| SMILES | O=P(O)(O)OP(=O)(O)OCC1OC(n2ccc3cccnc32)C(O)C1O |
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| InChI Key | KIIUNSGCDPXPFK-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 derivativeshydroxypyridinesmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyrrolopyridinessecondary alcoholssubstituted pyrrolestetrahydrofurans |
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| Substituents | pentose phosphatepolyhalopyridinepentose-5-phosphatesubstituted pyrroleorganic oxidearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholazacyclepyrrolopyridinetetrahydrofuranheteroaromatic compoundhydroxypyridineorganic pyrophosphateoxacyclepyridinephosphoric acid estermonoalkyl phosphatepyrrolesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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