| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:07 UTC |
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| Update Date | 2025-03-25 00:50:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178806 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H16N3O9P |
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| Molecular Mass | 377.0624 |
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| SMILES | Cn1ccc2[nH]c(=O)n(C3OC(COP(=O)(O)O)C(O)C3O)c2c1=O |
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| InChI Key | GJWAIDVKTWCUDR-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinoneslactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic carbonic acids and derivativesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspolyhalopyridinespyridinonessecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | lactampentose phosphatepolyhalopyridinepentose-5-phosphateimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholvinylogous amidecarbonic acid derivativeazacycletetrahydrofuranimidazopyridinoneheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativealkyl phosphate |
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