| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:39:38 UTC |
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| Update Date | 2025-03-21 21:54:42 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00437390 |
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| Frequency | 4.1 |
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| Structure | |
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| Chemical Formula | C8H11NO |
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| Molecular Mass | 137.0841 |
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| SMILES | Cc1cc(=O)c(C)c(C)[nH]1 |
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| InChI Key | NDJWLSITSJBUKQ-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 compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspyridines and derivativesvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacyclepolyhalopyridineheteroaromatic compoundcyclic ketoneorganic oxideorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivative2-halopyridineorganic nitrogen compoundorganooxygen compound |
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