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CHEBI:31112 - 3-dimethylallyl-4-hydroxymandelic acid
| Formula | C13H16O4 |
| Net Charge | 0 |
| Average Mass | 236.267 |
| Monoisotopic Mass | 236.10486 |
| SMILES | CC(C)=CCc1cc(C(O)C(=O)O)ccc1O |
| InChI | InChI=1S/C13H16O4/c1-8(2)3-4-9-7-10(5-6-11(9)14)12(15)13(16)17/h3,5-7,12,14-15H,4H2,1-2H3,(H,16,17) |
| InChIKey | VBHJEUYYPUPECH-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-hydroxymandelic acid (CHEBI:31112) has functional parent mandelic acid (CHEBI:35825) |
| 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is a 2-hydroxy monocarboxylic acid (CHEBI:49302) |
| 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is a phenols (CHEBI:33853) |
| 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) is conjugate acid of 3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) |
| Incoming Relation(s) |
| 3-dimethylallyl-4-hydroxymandelate (CHEBI:136890) is conjugate base of 3-dimethylallyl-4-hydroxymandelic acid (CHEBI:31112) |
| IUPAC Name |
|---|
| hydroxy[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]acetic acid |
| Synonym | Source |
|---|---|
| 4-hydroxy-3-prenylmandelic acid | ChEBI |
| Citations |
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