| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:23:46 UTC |
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| Update Date | 2025-03-21 18:38:11 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00119447 |
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| Frequency | 21.8 |
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| Structure | |
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| Chemical Formula | C9H13NO9P2 |
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| Molecular Mass | 341.0066 |
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| SMILES | Cc1ncc(CCOP(=O)(O)OP(=O)(O)O)c(C=O)c1O |
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| InChI Key | LTGLFBMSFIZTEN-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 | organic oxoanionic compounds |
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| Subclass | organic pyrophosphates |
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| Direct Parent | organic pyrophosphates |
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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 compoundspolyhalopyridinespyridine carboxaldehydespyridinecarboxylic acids and derivativesvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineorganoheterocyclic compoundazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydeorganic pyrophosphatevinylogous acidpyridinephosphoric acid estermonoalkyl phosphatehydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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