| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:35:09 UTC |
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| Update Date | 2025-03-21 17:56:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00004222 |
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| Frequency | 1334.3 |
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| Structure | |
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| Chemical Formula | C7H14 |
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| Molecular Mass | 98.1096 |
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| SMILES | C=CC(C)(C)CC |
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| InChI Key | TXBZITDWMURSEF-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 | olefins |
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| Direct Parent | alkenes |
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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 compoundalkeneunsaturated aliphatic hydrocarbon |
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