| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:37:55 UTC |
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| Update Date | 2025-03-21 17:57:51 UTC |
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| HMDB ID | HMDB0037617 |
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| Metabolite Identification |
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| DeepMet ID | DMID00010641 |
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| Name | xi-2,3-Dimethylhexane |
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| Frequency | 441.0 |
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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 | CCCC(C)C(C)C |
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| InChI Key | JXPOLSKBTUYKJB-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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