| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:24:15 UTC |
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| Update Date | 2025-03-21 18:38:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00120579 |
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| Frequency | 21.5 |
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| Structure | |
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| Chemical Formula | C11H14NO10P |
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| Molecular Mass | 351.0355 |
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| SMILES | O=C(O)c1cccc(=O)n1C1OC(COP(=O)(O)O)C(O)C1O |
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| InChI Key | XFZCIPBZSMJBOJ-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 heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesazacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridineslactamsmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridine-2-carboxylic acidspyridinonessecondary alcoholstetrahydrofurans |
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| Substituents | pyridine carboxylic acid or derivativeslactamcarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepentose-5-phosphatecarboxylic acid derivativeorganic oxidepyridine-2-carboxylic acidorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compound1,2-diolalcoholazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundpyridinoneorganic phosphoric acid derivativealkyl phosphate |
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