| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038422 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C9H12NO6P |
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| Molecular Mass | 261.0402 |
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| SMILES | COP(=O)(O)OCc1cnc(C)c(O)c1C=O |
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| InChI Key | KFZLIGBUBKVOQC-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | pyridines and derivatives |
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| Subclass | pyridine carboxaldehydes |
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| Direct Parent | pyridoxals and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl-aldehydesazacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinepyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridinedialkyl phosphatevinylogous acidorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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