| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 11:30:24 UTC |
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| Update Date | 2025-03-24 21:12:45 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01707030 |
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| Frequency | 0.7 |
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| Structure | |
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| Chemical Formula | C9H16 |
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| Molecular Mass | 124.1252 |
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| SMILES | CCCC#CC(C)(C)C |
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| InChI Key | MTPDNPQNJMXLRN-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 | acetylenes |
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| Direct Parent | terminal alkynes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | unsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundunsaturated aliphatic hydrocarbonmonosubstituted alkyne |
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