| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:53:58 UTC |
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| Update Date | 2025-03-25 00:51:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02187591 |
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| Frequency | 0.5 |
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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(C)(C)c1cccc(CC=O)c1 |
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| InChI Key | ZOGGJGNRNMAZJE-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-hydrogen aldehydeshydrocarbon derivativesorganic oxidesphenylpropanes |
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| Substituents | carbonyl groupaldehydephenylpropanearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundalpha-hydrogen aldehydehydrocarbon derivativeorganooxygen compoundphenylacetaldehyde |
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