| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:16:47 UTC |
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| Update Date | 2025-03-21 20:51:55 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00382392 |
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| Frequency | 4.8 |
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| Structure | |
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| Chemical Formula | C10H11N |
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| Molecular Mass | 145.0891 |
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| SMILES | CC(C)(C#N)c1ccccc1 |
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| InChI Key | PGQTYXFMSZUGOW-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganopnictogen compounds |
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| Substituents | phenylpropanearomatic homomonocyclic compoundnitrileorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrile |
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