| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 16:53:08 UTC |
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| Update Date | 2025-03-25 01:37:00 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02462709 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C4H6N2 |
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| Molecular Mass | 82.0531 |
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| SMILES | CN=C(C)C#N |
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| InChI Key | GRGBWMYTGBCUSN-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic nitrogen compounds |
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| Class | organonitrogen compounds |
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| Subclass | imines |
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| Direct Parent | secondary ketimines |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundnitrileorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundsecondary ketimineorganopnictogen compoundhydrocarbon derivativecarbonitrile |
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