| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:26:19 UTC |
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| Update Date | 2025-03-24 21:10:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01697355 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C7H6N2O |
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| Molecular Mass | 134.048 |
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| SMILES | Cn1c(C#N)ccc1C=O |
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| InChI Key | OWIWSQGGONTSKG-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | aryl-aldehydes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | azacyclic compoundsheteroaromatic compoundshydrocarbon derivativesn-methylpyrrolesnitrilesorganic oxidesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundssubstituted pyrroles |
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| Substituents | n-methylpyrrolenitrilearomatic heteromonocyclic compoundazacycleheteroaromatic compoundsubstituted pyrroleorganic oxidearyl-aldehydepyrroleorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganoheterocyclic compound |
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