| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:40:44 UTC |
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| Update Date | 2025-03-21 17:58:50 UTC |
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| HMDB ID | HMDB0040426 |
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| Metabolite Identification |
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| DeepMet ID | DMID00016979 |
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| Name | Isopropyl phenylacetate |
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| Frequency | 249.9 |
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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 | CC(C)OC(=O)Cc1ccccc1 |
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| InChI Key | SSMBXPJYHMZLOJ-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 | benzene and substituted derivatives |
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| Direct Parent | benzene and substituted derivatives |
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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 | aromatic homomonocyclic compoundmonocyclic benzene moietycarbonyl grouporganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativecarboxylic acid derivativeorganooxygen compound |
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