| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:39:49 UTC |
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| Update Date | 2025-03-25 00:46:28 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02155430 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18NO8P |
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| Molecular Mass | 335.077 |
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| SMILES | Cc1ncc(CCOP(=O)(O)OCC(O)CO)c(C=O)c1O |
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| InChI Key | FJLOQPJWMWRVRP-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 | pyridinecarboxylic acids and derivatives |
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| Direct Parent | pyridinecarboxylic acids and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1,2-diols2-halopyridinesaryl-aldehydesazacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesorganic oxidesorganonitrogen compoundsorganopnictogen compoundspolyhalopyridinesprimary alcoholspyridine carboxaldehydessecondary alcoholsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridineprimary alcohol1,2-diolalcoholazacycleheteroaromatic compoundhydroxypyridinealdehyde4-pyridine carboxaldehydedialkyl phosphatevinylogous acidorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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