| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-21 00:16:27 UTC |
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| Update Date | 2025-03-21 18:34:36 UTC |
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| HMDB ID | HMDB0037716 |
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| Metabolite Identification |
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| DeepMet ID | DMID00101631 |
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| Name | 1-Phenylethyl isobutyrate |
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| Frequency | 26.8 |
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| Structure | |
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| Chemical Formula | C12H16O2 |
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| Molecular Mass | 192.115 |
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| SMILES | CC(C)C(=O)OC(C)c1ccccc1 |
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| InChI Key | JZCCYSDOUYQZMW-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 | benzyloxycarbonyls |
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| Direct Parent | benzyloxycarbonyls |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | benzyloxycarbonylcarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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