| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 02:25:42 UTC |
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| Update Date | 2025-03-21 20:55:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00403916 |
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| Frequency | 4.5 |
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| Structure | |
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| Chemical Formula | C7H12O2 |
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| Molecular Mass | 128.0837 |
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| SMILES | CC(C)C(C)C(O)=C=O |
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| InChI Key | VBIMRRQZAWUFLF-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 | ynolates |
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| Direct Parent | ynolates |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | hydrocarbon derivativesorganic oxides |
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| Substituents | aliphatic acyclic compoundorganic oxideynolatehydrocarbon derivative |
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