| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:17:15 UTC |
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| Update Date | 2025-03-21 18:35:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00103619 |
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| Frequency | 26.2 |
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| Structure | |
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| Chemical Formula | C8H12 |
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| Molecular Mass | 108.0939 |
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| SMILES | CC1=C(C)CCC=C1 |
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| InChI Key | TUUPVPTYVPFAKG-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 homomonocyclic compounds |
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| Alternative Parents | cyclic olefinsunsaturated aliphatic hydrocarbons |
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| Substituents | cyclic olefinbranched unsaturated hydrocarbonaliphatic homomonocyclic compoundunsaturated aliphatic hydrocarbonolefin |
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