| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 01:12:53 UTC |
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| Update Date | 2025-03-21 19:07:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00233977 |
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| Frequency | 9.1 |
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| Structure | |
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| Chemical Formula | C7H12 |
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| Molecular Mass | 96.0939 |
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| SMILES | C#CCCCCC |
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| InChI Key | YVXHZKKCZYLQOP-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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