| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:05:13 UTC |
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| Update Date | 2025-03-25 00:55:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02213444 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N3O |
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| Molecular Mass | 243.1372 |
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| SMILES | CN(CCCC1CCc2cc(C#N)ccc21)N=O |
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| InChI Key | JIGMKCCJBNVMMM-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | indanes |
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| Subclass | indanes |
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| Direct Parent | indanes |
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| Geometric Descriptor | aromatic homopolycyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganic n-nitroso compoundsorganic oxidesorganopnictogen compounds |
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| Substituents | organic nitroso compoundnitrilearomatic homopolycyclic compoundorganic n-nitroso compoundorganic oxideorganic oxygen compoundindaneorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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