| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 08:40:34 UTC |
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| Update Date | 2025-03-25 00:22:40 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID01300899 |
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| Frequency | 1.0 |
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| Structure | |
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| Chemical Formula | C7H10O2 |
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| Molecular Mass | 126.0681 |
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| SMILES | CCC(C)=CC(O)=C=O |
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| InChI Key | ULOYBCQOUDWSLZ-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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