| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:17:54 UTC |
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| Update Date | 2025-03-21 18:35:21 UTC |
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| HMDB ID | HMDB0302251 |
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| Metabolite Identification |
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| DeepMet ID | DMID00105218 |
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| Name | 3-Methyl-4-ethylhexane |
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| Frequency | 25.7 |
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| Structure | |
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| Chemical Formula | C9H20 |
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| Molecular Mass | 128.1565 |
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| SMILES | CCC(C)C(CC)CC |
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| InChI Key | OKCRKWVABWILDR-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 | branched 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 compoundbranched alkane |
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