| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:47:36 UTC |
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| Update Date | 2025-03-25 00:25:15 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01317382 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C9H16O |
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| Molecular Mass | 140.1201 |
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| SMILES | C=CC(O)(C=CC)CCC |
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| InChI Key | LPIFNDBBTUFYSC-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 | tertiary 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 compoundtertiary alcoholhydrocarbon derivative |
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