| Record Information |
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| HMDB Status | detected |
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| Creation Date | 2024-02-20 23:45:17 UTC |
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| Update Date | 2025-03-21 18:00:27 UTC |
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| HMDB ID | HMDB0094661 |
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| Metabolite Identification |
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| DeepMet ID | DMID00027331 |
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| Name | 1-Phenyl-2-hexanone |
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| Frequency | 139.0 |
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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 | CCCCC(=O)Cc1ccccc1 |
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| InChI Key | DYQAZJQDLPPHNB-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | hydrocarbon derivativesketonesorganic oxides |
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| Substituents | ketonearomatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxideorganic oxygen compoundhydrocarbon derivativeorganooxygen compound |
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