| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:37:34 UTC |
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| Update Date | 2025-03-21 17:57:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00009811 |
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| Frequency | 486.9 |
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| Structure | |
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| Chemical Formula | C8H11NO9P2 |
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| Molecular Mass | 326.9909 |
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| SMILES | Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(C=O)c1O |
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| InChI Key | BLPOUZDLIYAHLN-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 oxidesorganic pyrophosphatesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinepyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydeorganic pyrophosphatevinylogous acidorganic oxygen compoundphosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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