| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:49:47 UTC |
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| Update Date | 2025-03-25 00:49:59 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02178038 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O3 |
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| Molecular Mass | 234.1256 |
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| SMILES | COC(=O)CCC(=O)c1c(C)ccc(C)c1C |
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| InChI Key | BDIYGNWAJQXEED-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic oxygen compounds |
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| Class | organooxygen compounds |
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| Subclass | carbonyl compounds |
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| Direct Parent | alkyl-phenylketones |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzoyl derivativesbutyrophenonesfatty acid methyl estersgamma-keto acids and derivativeshydrocarbon derivativesmethyl estersmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | fatty acylmonocyclic benzene moietyaryl alkyl ketonebenzoylcarboxylic acid derivativeorganic oxidemethyl estergamma-keto acidbutyrophenonearomatic homomonocyclic compoundfatty acid estermonocarboxylic acid or derivativesfatty acid methyl esterketo acidcarboxylic acid esterhydrocarbon derivativebenzenoidalkyl-phenylketone |
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