| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 01:32:35 UTC |
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| Update Date | 2025-03-21 19:21:53 UTC |
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| HMDB ID | HMDB0034236 |
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| Metabolite Identification |
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| DeepMet ID | DMID00279781 |
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| Name | Benzenepropanenitrile |
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| Frequency | 7.2 |
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| Structure | |
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| Chemical Formula | C9H9N |
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| Molecular Mass | 131.0735 |
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| SMILES | N#CCCc1ccccc1 |
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| InChI Key | ACRWYXSKEHUQDB-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 | benzene and substituted derivatives |
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| Subclass | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | aromatic homomonocyclic compoundmonocyclic benzene moietynitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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