| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:56:30 UTC |
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| Update Date | 2025-03-25 00:52:21 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02193234 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C10H16N2O2 |
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| Molecular Mass | 196.1212 |
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| SMILES | CCCCCC(O)=CC(O)=NCC#N |
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| InChI Key | UGCIDFGFZQOADB-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboximidic acids and derivatives |
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| Subclass | carboximidic acids |
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| Direct Parent | carboximidic acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesnitrilesorganonitrogen compoundsorganooxygen compoundsorganopnictogen compoundspropargyl-type 1,3-dipolar organic compounds |
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| Substituents | aliphatic acyclic compoundcarboximidic acidnitrileorganic 1,3-dipolar compoundpropargyl-type 1,3-dipolar organic compoundorganic oxygen compoundorganonitrogen compoundorganopnictogen compoundhydrocarbon derivativeorganic nitrogen compoundcarbonitrileorganooxygen compound |
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