| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:22 UTC |
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| Update Date | 2025-03-21 18:02:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00037067 |
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| Frequency | 95.2 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | CC1=C(C(=O)C=O)C(C)(C)CC=C1 |
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| InChI Key | XDCXHZJTUZRWST-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 | carbonyl compounds |
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| Direct Parent | alpha ketoaldehydes |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketoneorganic oxidealiphatic homomonocyclic compoundhydrocarbon derivativealpha-ketoaldehyde |
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