| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:56:57 UTC |
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| Update Date | 2025-03-21 18:05:07 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00054945 |
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| Frequency | 58.4 |
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| Structure | |
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| Chemical Formula | C13H14O |
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| Molecular Mass | 186.1045 |
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| SMILES | CC1=C(C(=O)c2ccccc2)CCC1 |
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| InChI Key | ORGSWHNNYDOZSW-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 | benzoyl derivatives |
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| Direct Parent | benzoyl derivatives |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl ketoneshydrocarbon derivativesorganic oxidesorganooxygen compounds |
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| Substituents | ketonearomatic homomonocyclic compoundorganic oxideorganic oxygen compoundbenzoylhydrocarbon derivativeorganooxygen compoundaryl ketone |
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