| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 10:15:17 UTC |
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| Update Date | 2025-03-24 20:40:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01526940 |
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| Frequency | 0.8 |
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| Structure | |
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| Chemical Formula | C8H12O2 |
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| Molecular Mass | 140.0837 |
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| SMILES | C=CC(O)CC(=C=O)CC |
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| InChI Key | MBSICHLFQRNIOW-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 derivativesketenesorganic oxidesynolates |
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| Substituents | aliphatic acyclic compoundorganic oxideynolatesecondary alcoholhydrocarbon derivativeketene |
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