| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:49 UTC |
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| Update Date | 2025-03-21 18:35:50 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00107460 |
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| Frequency | 25.0 |
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| Structure | |
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| Chemical Formula | C14H20O2 |
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| Molecular Mass | 220.1463 |
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| SMILES | CCCCOC(=O)c1ccccc1C(C)C |
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| InChI Key | DQODKUUIDKRFKG-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 | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid esterscumeneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundsphenylpropanes |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid estercumenehydrocarbon derivativeorganooxygen compound |
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