| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:46:29 UTC |
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| Update Date | 2025-03-21 18:00:55 UTC |
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| HMDB ID | HMDB0033380 |
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| Metabolite Identification |
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| DeepMet ID | DMID00030075 |
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| Name | 3-Methylbutyl benzoate |
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| Frequency | 123.7 |
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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)CCOC(=O)c1ccccc1 |
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| InChI Key | MLLAPOCBLWUFAP-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 derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compounds |
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| Substituents | benzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundcarboxylic acid esterhydrocarbon derivativeorganooxygen compound |
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