| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:42 UTC |
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| Update Date | 2025-03-25 00:49:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177855 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H21NO2 |
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| Molecular Mass | 271.1572 |
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| SMILES | Cc1ccc(C)c(Cc2cnc(C)c(O)c2CO)c1C |
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| InChI Key | BCQZTJLPWCXKOY-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-halopyridinesaromatic alcoholsazacyclic compoundsbenzene and substituted derivativesheteroaromatic compoundshydrocarbon derivativeshydroxypyridinesmethylpyridinesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic alcoholalcoholmonocyclic benzene moietyaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundhydroxypyridinemethylpyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativebenzenoid2-halopyridineorganic nitrogen compoundorganooxygen compound |
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