| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:51 UTC |
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| Update Date | 2025-03-21 17:56:24 UTC |
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| HMDB ID | HMDB0029600 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001132 |
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| Name | Hexane |
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| Frequency | 5132.0 |
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| Structure | |
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| Chemical Formula | C6H14 |
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| Molecular Mass | 86.1096 |
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| SMILES | CCCCCC |
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| InChI Key | VLKZOEOYAKHREP-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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