| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:20:07 UTC |
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| Update Date | 2025-03-21 18:36:26 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00110637 |
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| Frequency | 30.1 |
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| Structure | |
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| Chemical Formula | C10H13N4O9P |
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| Molecular Mass | 364.042 |
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| SMILES | O=c1[nH]c(=O)c2cnn(C3OC(COP(=O)(O)O)C(O)C3O)c2[nH]1 |
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| InChI Key | SGJDOIHQEFAKBM-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-diolsalkaloids and derivativesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmonoalkyl phosphatesmonosaccharidesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyrazolespyrazolo[3,4-d]pyrimidinespyrimidonessecondary alcoholstetrahydrofuransvinylogous amidesxanthines |
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| Substituents | lactampentose phosphatepentose-5-phosphatepyrimidonepyrazolepyrimidineorganic oxidepyrazolopyrimidinearomatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-diolpyrazolo[3,4-d]pyrimidinealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranheteroaromatic compoundxanthineoxacyclealkaloid or derivativesphosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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