| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:07:14 UTC |
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| Update Date | 2025-03-25 00:56:23 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02218053 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C13H16O2 |
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| Molecular Mass | 204.115 |
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| SMILES | Cc1ccc(C(C)(C)C)cc1C(=O)C=O |
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| InChI Key | APGDIGLKEBGSNU-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylacetaldehydes |
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| Direct Parent | phenylacetaldehydes |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | alpha ketoaldehydesaryl ketonesbenzoyl derivativeshydrocarbon derivativesorganic oxidesphenylpropanestoluenes |
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| Substituents | carbonyl groupbenzoylaldehydeketonephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundhydrocarbon derivativetoluenealpha-ketoaldehydeorganooxygen compoundaryl ketonephenylacetaldehyde |
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