| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:13 UTC |
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| Update Date | 2025-03-21 18:39:52 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127567 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C16H22O3 |
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| Molecular Mass | 262.1569 |
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| SMILES | CCC(CCC(C)=O)COC(=O)Cc1ccccc1 |
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| InChI Key | WLVJNICSCOCJPZ-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 | carboxylic acid estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acid derivativeketonearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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