| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:38:01 UTC |
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| Update Date | 2025-03-25 00:45:46 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02151171 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H17NO |
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| Molecular Mass | 191.131 |
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| SMILES | C=Cc1c(C)c(C)c(CCC)[nH]c1=O |
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| InChI Key | CDEKWVRCJRBOKC-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-halopyridinesazacyclic compoundsheteroaromatic compoundshydrocarbon derivativeslactamsmethylpyridinesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridinones |
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| Substituents | lactamaromatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundmethylpyridineorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundpyridinoneorganooxygen compound |
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