| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:59:30 UTC |
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| Update Date | 2025-03-21 18:06:06 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00061021 |
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| Frequency | 51.2 |
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| Structure | |
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| Chemical Formula | C11H15NO8P+ |
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| Molecular Mass | 320.053 |
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| SMILES | O=C(O)c1ccc[n+](C2CC(O)C(COP(=O)(O)O)O2)c1 |
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| InChI Key | WJLRCLFFUWNVJJ-UHFFFAOYSA-O |
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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 | azacyclic compoundscarboxylic acidsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesmonosaccharidesorganic cationsorganic 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 acidcarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compoundorganic cationorganoheterocyclic compoundalcoholvinylogous amideazacycletetrahydrofuranheteroaromatic compoundhydroxypyridineoxacyclemonocarboxylic acid or derivativespyridinephosphoric acid estermonoalkyl phosphatepyridine carboxylic acidsecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphate |
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