| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:27:42 UTC |
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| Update Date | 2025-03-24 20:45:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01556962 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C6H8 |
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| Molecular Mass | 80.0626 |
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| SMILES | C#CC(C)=CC |
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| InChI Key | GRGVQLWQXHFRHO-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | hydrocarbons |
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| Class | unsaturated hydrocarbons |
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| Subclass | branched unsaturated hydrocarbons |
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| Direct Parent | branched unsaturated hydrocarbons |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acetylidesacyclic acetylenesacyclic olefinsenynesunsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundacetylidebranched unsaturated hydrocarbonenyneunsaturated aliphatic hydrocarbonolefinacyclic olefinacyclic acetyleneacetylene |
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