| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:12:44 UTC |
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| Update Date | 2025-03-25 00:58:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02230393 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C11H16NO6P |
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| Molecular Mass | 289.0715 |
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| SMILES | CCOP(=O)(O)OCc1cnc(C)c(O)c1C(C)=O |
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| InChI Key | VZJQQTOPMAFNBS-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 | halopyridines |
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| Direct Parent | polyhalopyridines |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 2-halopyridinesaryl alkyl ketonesazacyclic compoundsdialkyl phosphatesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous acids |
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| Substituents | aryl alkyl ketonearomatic heteromonocyclic compoundpolyhalopyridineketoneorganic oxideorganonitrogen compoundorganopnictogen compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinedialkyl phosphatevinylogous acidorganic oxygen compoundphosphoric acid esterhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compoundaryl ketone |
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