| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:35:54 UTC |
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| Update Date | 2025-03-21 17:57:08 UTC |
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| HMDB ID | HMDB0303722 |
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| Metabolite Identification |
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| DeepMet ID | DMID00005903 |
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| Name | Octyl benzoate |
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| Frequency | 890.3 |
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| Structure | |
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| Chemical Formula | C15H22O2 |
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| Molecular Mass | 234.162 |
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| SMILES | CCCCCCCCOC(=O)c1ccccc1 |
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| InChI Key | VECVSKFWRQYTAL-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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