| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:14:03 UTC |
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| Update Date | 2025-03-25 00:58:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02233392 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H14O2 |
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| Molecular Mass | 190.0994 |
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| SMILES | CC(O)C=CCC(=O)c1ccccc1 |
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| InChI Key | UMZWHJMMBPBEFY-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 | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativesfatty alcoholshydrocarbon derivativesorganic oxidessecondary alcohols |
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| Substituents | alcoholfatty acylmonocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxidefatty alcoholsecondary alcoholhydrocarbon derivativebenzenoidalkyl-phenylketone |
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