| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:48:38 UTC |
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| Update Date | 2025-03-25 00:49:36 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02175368 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17NO4P+ |
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| Molecular Mass | 294.089 |
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| SMILES | Cc1c(COP(=O)(O)O)ccc[n+]1Cc1ccccc1 |
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| InChI Key | VUIQLDRQYZQDFO-UHFFFAOYSA-O |
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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-halopyridinesazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmonoalkyl phosphatesorganic cationsorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridineorganic oxideorganic oxygen compoundphosphoric acid estermonoalkyl phosphateorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganic cationorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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