| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:29 UTC |
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| Update Date | 2025-03-25 00:49:53 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02177340 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O |
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| Molecular Mass | 188.1201 |
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| SMILES | Cc1cccc(C(=O)C2CCCC2)c1 |
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| InChI Key | PCHUAJXSGOXIRN-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 derivativeshydrocarbon derivativesorganic oxidesorganooxygen compoundstoluenes |
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| Substituents | monocyclic benzene moietyaryl alkyl ketonebenzoylaromatic homomonocyclic compoundorganic oxidehydrocarbon derivativebenzenoidtoluenealkyl-phenylketone |
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