| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:03:12 UTC |
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| Update Date | 2025-03-25 00:54:47 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02208606 |
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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 | CC(C)(C)c1cc(C(=O)O)c(COP(=O)(O)O)cn1 |
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| InChI Key | REJQGIMQPLJIPD-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 |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | 1-carboxy-2-haloaromatic compounds2-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesmonoalkyl phosphatesmonocarboxylic acids and derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspolyhalopyridines |
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| Substituents | carboxylic acidaromatic heteromonocyclic compoundpolyhalopyridinecarboxylic acid derivativeorganic oxideorganonitrogen compoundorganopnictogen compound1-carboxy-2-haloaromatic compound2-halopyridineazacycleheteroaromatic compoundhydroxypyridinemethylpyridinemonocarboxylic acid or derivativesorganic oxygen compoundphosphoric acid estermonoalkyl phosphatepyridine carboxylic acidhydrocarbon derivativeorganic nitrogen compoundorganic phosphoric acid derivativealkyl phosphateorganooxygen compound |
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