| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:18:10 UTC |
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| Update Date | 2025-03-21 18:35:29 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00105823 |
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| Frequency | 25.5 |
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| Structure | |
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| Chemical Formula | C19H28O3 |
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| Molecular Mass | 304.2038 |
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| SMILES | CC(C)(C)c1cc(CC2CCC(=O)O2)cc(C(C)(C)C)c1O |
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| InChI Key | VYQUKVABTNXUPW-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 | phenylpropanes |
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| Direct Parent | phenylpropanes |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estersgamma butyrolactoneshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compoundsphenolstetrahydrofurans |
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| Substituents | carbonyl grouparomatic heteromonocyclic compoundtetrahydrofurancarboxylic acid derivativegamma butyrolactonelactonephenylpropaneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterphenolhydrocarbon derivativeorganoheterocyclic compoundorganooxygen compound |
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