| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:50:19 UTC |
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| Update Date | 2025-03-21 18:02:38 UTC |
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| HMDB ID | HMDB0033376 |
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| Metabolite Identification |
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| DeepMet ID | DMID00039296 |
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| Name | Phenylmethyl butanoate |
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| Frequency | 88.6 |
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| Structure | |
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| Chemical Formula | C11H14O2 |
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| Molecular Mass | 178.0994 |
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| SMILES | CCCC(=O)OCc1ccccc1 |
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| InChI Key | VONGZNXBKCOUHB-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 estersfatty acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxides |
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| Substituents | benzyloxycarbonylfatty acylcarbonyl groupcarboxylic acid derivativearomatic homomonocyclic compoundfatty acid esterorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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