| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:17:14 UTC |
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| Update Date | 2025-03-24 20:41:27 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01531556 |
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| Frequency | 0.8 |
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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 | CN1C2C=CC(=O)C1C2 |
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| InChI Key | WXMNFZOEMAXVGM-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 | cyclohexenones |
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| Geometric Descriptor | aliphatic heteropolycyclic compounds |
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| Alternative Parents | azacyclic compoundsazetidineshydrocarbon derivativesketonesorganic oxidesorganopnictogen compoundstrialkylamines |
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| Substituents | cyclohexenoneazacycletertiary aliphatic amineazetidinealiphatic heteropolycyclic compoundorganic oxideorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundaminetertiary amineorganoheterocyclic compound |
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