| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:55:22 UTC |
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| Update Date | 2025-03-25 00:51:58 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02190705 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C8H14 |
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| Molecular Mass | 110.1096 |
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| SMILES | C#CCCC(C)CC |
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| InChI Key | XZAXKNMXYFKSKY-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 | acetylidesunsaturated aliphatic hydrocarbons |
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| Substituents | aliphatic acyclic compoundacetylideunsaturated aliphatic hydrocarbonmonosubstituted alkyne |
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