| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:11 UTC |
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| Update Date | 2025-03-25 00:58:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233700 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO7P |
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| Molecular Mass | 305.0664 |
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| SMILES | Cc1ncc(COP(=O)(O)OCC(C)O)c(C=O)c1O |
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| InChI Key | JOGCJNSBOUMZTI-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 compoundsorganopnictogen compoundspolyhalopyridinespyridinecarboxylic acids and derivativessecondary alcoholsvinylogous acids |
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| Substituents | pyridine carboxylic acid or derivativesaromatic heteromonocyclic compoundpolyhalopyridineorganic oxidearyl-aldehydeorganonitrogen compoundorganopnictogen compound2-halopyridinealcoholpyridoxalazacycleheteroaromatic compoundhydroxypyridinealdehydemethylpyridinedialkyl phosphatevinylogous acidorganic oxygen compoundphosphoric acid estersecondary alcoholhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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