| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:18:05 UTC |
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| Update Date | 2025-03-25 01:00:25 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02242607 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C18H26O3 |
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| Molecular Mass | 290.1882 |
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| SMILES | CC(=O)CCC(C)COC(=O)c1cccc(C(C)(C)C)c1 |
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| InChI Key | YSIDIRIWHBSMKO-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 estershydrocarbon derivativesketonesmonocarboxylic acids and derivativesorganic oxidesphenylpropanes |
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| Substituents | carbonyl groupbenzoylbenzoate estercarboxylic acid derivativeketonephenylpropanearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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