| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 07:27:48 UTC |
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| Update Date | 2025-03-24 22:13:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01124871 |
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| Frequency | 1.2 |
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| Structure | |
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| Chemical Formula | C7H12O |
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| Molecular Mass | 112.0888 |
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| SMILES | C#CC(O)CCCC |
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| InChI Key | SHSFXAVQBIEYMK-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 | acetylideshydrocarbon derivatives |
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| Substituents | aliphatic acyclic compoundacetylidesecondary alcoholhydrocarbon derivative |
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