| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:35:03 UTC |
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| Update Date | 2025-03-25 00:20:38 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01287887 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C6H10O |
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| Molecular Mass | 98.0732 |
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| SMILES | CCC#CC(C)O |
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| InChI Key | IFCAMPHNVKBSTF-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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