| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:54:39 UTC |
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| Update Date | 2025-03-25 00:51:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02189137 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H17N |
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| Molecular Mass | 199.1361 |
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| SMILES | CC(C)CC1Cc2ccc(C#N)cc2C1 |
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| InChI Key | RGSUXORFTXFWKK-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 derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | nitrileindaneorganonitrogen compoundorganopnictogen compoundaromatic homopolycyclic compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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