| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:33:59 UTC |
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| Update Date | 2025-03-21 17:56:27 UTC |
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| HMDB ID | HMDB0031481 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001426 |
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| Name | xi-3-Heptanol |
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| Frequency | 4154.0 |
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| Structure | |
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| Chemical Formula | C7H16O |
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| Molecular Mass | 116.1201 |
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| SMILES | CCCCC(O)CC |
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| InChI Key | RZKSECIXORKHQS-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | alcohols and polyols |
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| Direct Parent | secondary alcohols |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivatives |
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| Substituents | aliphatic acyclic compoundsecondary alcoholhydrocarbon derivative |
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