| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:36 UTC |
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| Update Date | 2025-03-25 00:59:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236935 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO16P3 |
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| Molecular Mass | 510.9682 |
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| SMILES | O=C(O)c1cn(C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O)ccc1=O |
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| InChI Key | DPWPGSUDCZVMCO-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-diolsazacyclic compoundscarboxylic acidscyclic ketonesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundspyridine-3-carboxylic acidssecondary alcoholstetrahydrofuransvinylogous amides |
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| Substituents | pyridine carboxylic acid or derivativescarboxylic acidaromatic heteromonocyclic compoundpentose phosphatepyridine-3-carboxylic acidpentose-5-phosphatecyclic ketonecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganoheterocyclic compound1,2-diolalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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