| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:49:56 UTC |
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| Update Date | 2025-03-21 18:02:30 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00038410 |
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| Frequency | 91.1 |
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| Structure | |
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| Chemical Formula | C12H16O |
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| Molecular Mass | 176.1201 |
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| SMILES | CC(=O)c1cc(C(C)C)ccc1C |
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| InChI Key | LVNVQCXLRILPCM-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 | acetophenonesaromatic monoterpenoidsaryl alkyl ketonesbenzoyl derivativescumeneshydrocarbon derivativesmonocyclic monoterpenoidsorganic oxidesorganooxygen compoundsphenylpropanestoluenes |
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| Substituents | monoterpenoidmonocyclic benzene moietymonocyclic monoterpenoidaryl alkyl ketonebenzoylp-cymenephenylpropanearomatic homomonocyclic compoundorganic oxideacetophenonecumenehydrocarbon derivativebenzenoidtoluenealkyl-phenylketonearomatic monoterpenoid |
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