| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:59 UTC |
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| Update Date | 2025-03-25 00:59:33 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02237810 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H20N5O7P |
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| Molecular Mass | 437.11 |
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| SMILES | Nc1nc2c(ncn2C2OC(COP(=O)(O)O)C(O)C2O)c(N)c1-c1ccccc1 |
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| InChI Key | XYYNYYKWYQRHML-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 compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesimidazolesimidazopyridinesimidolactamsmonoalkyl phosphatesmonosaccharidesn-substituted imidazolesorganic oxidesorganopnictogen compoundsoxacyclic compoundspolyhalopyridinesprimary aminessecondary alcoholstetrahydrofurans |
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| Substituents | monocyclic benzene moietypentose phosphatepolyhalopyridinepentose-5-phosphateimidazopyridineorganic oxidearomatic heteropolycyclic compoundimidazoleorganonitrogen compoundorganopnictogen compound2-halopyridineimidolactamorganoheterocyclic compoundazole1,2-dioln-substituted imidazolealcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclepyridinephosphoric acid estermonoalkyl phosphatesecondary alcoholhydrocarbon derivativebenzenoidprimary amineorganic nitrogen compoundorganic phosphoric acid derivativeaminealkyl phosphate |
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