| Record Information | 
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| HMDB Status | Not Available | 
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| Creation Date | 2024-02-21 14:41:06 UTC | 
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| Update Date | 2025-03-25 00:46:55 UTC | 
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| HMDB ID | Not Available | 
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| Metabolite Identification | 
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| DeepMet ID | DMID02158235 | 
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| Frequency | 0.5 | 
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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 | C=CC(CC)=C(C)CC | 
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| InChI Key | QZLUQVZMJKGWPV-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  | alkadienesunsaturated aliphatic hydrocarbons | 
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| Substituents  | aliphatic acyclic compoundbranched unsaturated hydrocarbonalkadieneunsaturated aliphatic hydrocarbonolefinacyclic olefin | 
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