| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:08:03 UTC |
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| Update Date | 2025-03-21 18:30:13 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00081533 |
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| Frequency | 35.5 |
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| Structure | |
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| Chemical Formula | C18H28O2 |
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| Molecular Mass | 276.2089 |
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| SMILES | CCCCC(CC)COC(=O)c1ccccc1C(C)C |
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| InChI Key | MZKROIHFAZNGAY-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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