| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:08 UTC |
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| Update Date | 2025-03-21 18:33:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098396 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C8H12NO12P3 |
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| Molecular Mass | 406.9572 |
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| SMILES | Cc1ncc(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)c(C=O)c1O |
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| InChI Key | GQGZQWRAJNGGLE-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 compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesorganic 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 compoundhydroxypyridinealdehydevinylogous acidorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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