| Record Information |
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| HMDB Status | expected |
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| Creation Date | 2024-02-20 23:34:04 UTC |
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| Update Date | 2025-03-21 17:56:29 UTC |
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| HMDB ID | HMDB0036432 |
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| Metabolite Identification |
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| DeepMet ID | DMID00001629 |
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| Name | Isobutyl salicylate |
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| Frequency | 3653.8 |
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| Structure | |
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| Chemical Formula | C11H14O3 |
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| Molecular Mass | 194.0943 |
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| SMILES | CC(C)COC(=O)c1ccccc1O |
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| InChI Key | PTXDBYSCVQQBNF-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 | o-hydroxybenzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | 1-hydroxy-2-unsubstituted benzenoids1-hydroxy-4-unsubstituted benzenoidsbenzoyl derivativescarboxylic acid estershydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesorganooxygen compoundssalicylic acid and derivativesvinylogous acids |
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| Substituents | benzoyl1-hydroxy-2-unsubstituted benzenoid1-hydroxy-4-unsubstituted benzenoidcarboxylic acid derivativearomatic homomonocyclic compoundvinylogous acidorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundsalicylic acid or derivativeso-hydroxybenzoic acid estercarboxylic acid esterphenolhydrocarbon derivativeorganooxygen compound |
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