| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:41:46 UTC |
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| Update Date | 2025-03-25 00:47:08 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02159687 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16N2O11P2 |
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| Molecular Mass | 438.0229 |
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| SMILES | O=c1c2ccccc2ncn1C1OC(COP(=O)(O)OP(=O)(O)O)C(O)C1O |
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| InChI Key | LZDMRDPMNIJWDE-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 compoundsbenzenoidsdiazanaphthalenesheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic oxidesorganic pyrophosphatesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrimidonesquinazolinessecondary alcoholstetrahydrofurans |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepyrimidineorganic oxidediazanaphthalenearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundorganic pyrophosphateoxacyclephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidorganic nitrogen compoundquinazolineorganic phosphoric acid derivativealkyl phosphate |
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