| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:50 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0001485 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001087 |
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| Name | Octane |
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| Frequency | 5334.0 |
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| Structure | |
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| Chemical Formula | C8H18 |
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| Molecular Mass | 114.1409 |
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| SMILES | CCCCCCCC |
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| InChI Key | TVMXDCGIABBOFY-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 | saturated hydrocarbons |
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| Subclass | alkanes |
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| Direct Parent | alkanes |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | Not Available |
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| Substituents | aliphatic acyclic compoundalkaneacyclic alkane |
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