| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:15:18 UTC |
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| Update Date | 2025-03-25 00:59:18 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02236271 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H11NO4 |
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| Molecular Mass | 233.0688 |
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| SMILES | COc1c(O)ccnc1-c1ccc(O)c(O)c1 |
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| InChI Key | GKBIHGVODFVIPG-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 | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoids2-halopyridinesalkyl aryl ethersazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | monocyclic benzene moietyetheraromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridine1-hydroxy-2-unsubstituted benzenoidmethylpyridine1-hydroxy-4-unsubstituted benzenoidalkyl aryl etherorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundphenolhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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