| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:13:49 UTC |
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| Update Date | 2025-03-25 00:58:48 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02232862 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H20O3 |
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| Molecular Mass | 260.1412 |
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| SMILES | CC=CC(=O)C1=C(C)C(=CC)C(C)=C1CCC(=O)O |
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| InChI Key | WGWJRFIILIZFTN-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,beta-unsaturated ketones |
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| Geometric Descriptor | aliphatic homomonocyclic compounds |
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| Alternative Parents | carboxylic acidshydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | ketoneorganic oxidemonocarboxylic acid or derivativescarboxylic acidaliphatic homomonocyclic compoundhydrocarbon derivativealpha,beta-unsaturated ketonecarboxylic acid derivative |
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