| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:43:22 UTC |
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| Update Date | 2025-03-21 17:59:43 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00022839 |
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| Frequency | 173.1 |
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| Structure | |
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| Chemical Formula | C7H9NO |
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| Molecular Mass | 123.0684 |
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| SMILES | Cc1cn(C)ccc1=O |
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| InChI Key | HOCLMYVQINQGNJ-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 | pyridines and derivatives |
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| Direct Parent | pyridines and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundscyclic ketonesheteroaromatic compoundshydrocarbon derivativesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundsvinylogous amides |
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| Substituents | vinylogous amidearomatic heteromonocyclic compoundazacycleheteroaromatic compoundcyclic ketoneorganic oxidepyridineorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundorganooxygen compound |
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