| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:50:46 UTC |
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| Update Date | 2025-03-25 00:50:19 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02180274 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C17H16O3 |
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| Molecular Mass | 268.1099 |
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| SMILES | Cc1cc(C(C)C(=O)O)ccc1C(=O)c1ccccc1 |
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| InChI Key | SMPSVSIDXQCCKK-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 | benzophenones |
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| Direct Parent | benzophenones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aromatic monoterpenoidsaryl ketonesaryl-phenylketonesbenzoyl derivativescarboxylic acidsdiphenylmethaneshydrocarbon derivativesmonocarboxylic acids and derivativesmonocyclic monoterpenoidsorganic oxidesphenylpropanoic acidstoluenes |
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| Substituents | diphenylmethanemonoterpenoidcarbonyl groupmonocyclic monoterpenoidcarboxylic acidaryl-phenylketonebenzoylp-cymenecarboxylic acid derivativebenzophenoneketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compound2-phenylpropanoic-acidhydrocarbon derivativetolueneorganooxygen compoundaromatic monoterpenoidaryl ketone |
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