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CHEBI:31113 - 3-dimethylallyl-4-hydroxyphenylpyruvic acid
| Formula | C14H16O4 |
| Net Charge | 0 |
| Average Mass | 248.278 |
| Monoisotopic Mass | 248.10486 |
| SMILES | CC(C)=CCc1cc(CC(=O)C(=O)O)ccc1O |
| InChI | InChI=1S/C14H16O4/c1-9(2)3-5-11-7-10(4-6-12(11)15)8-13(16)14(17)18/h3-4,6-7,15H,5,8H2,1-2H3,(H,17,18) |
| InChIKey | VRMYGSOHQOAIFX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) has functional parent pyruvic acid (CHEBI:32816) |
| 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is a 2-oxo monocarboxylic acid (CHEBI:35910) |
| 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is a phenols (CHEBI:33853) |
| 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) is conjugate acid of 3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) |
| Incoming Relation(s) |
| 3-dimethylallyl-4-hydroxyphenylpyruvate(1−) (CHEBI:74408) is conjugate base of 3-dimethylallyl-4-hydroxyphenylpyruvic acid (CHEBI:31113) |
| IUPAC Name |
|---|
| 3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]-2-oxopropanoic acid |
| Synonym | Source |
|---|---|
| 3-(3,3-dimethylallyl)-4-hydroxyphenylpyruvic acid | ChEBI |
| Citations |
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