EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H24O4 |
| Net Charge | 0 |
| Average Mass | 280.364 |
| Monoisotopic Mass | 280.16746 |
| SMILES | CO[C@](C)(CCCC(C)C)c1ccc(C(=O)O)cc1O |
| InChI | InChI=1S/C16H24O4/c1-11(2)6-5-9-16(3,20-4)13-8-7-12(15(18)19)10-14(13)17/h7-8,10-11,17H,5-6,9H2,1-4H3,(H,18,19)/t16-/m1/s1 |
| InChIKey | WVQKVHAEEDYXPI-MRXNPFEDSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Gibellula (ncbitaxon:150360) | - | DOI (10.1016/j.phytol.2015.03.011) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (-)-(7R)-7-O-methylsydonic acid (CHEBI:225913) is a sesquiterpenoid (CHEBI:26658) |
| IUPAC Name |
|---|
| 3-hydroxy-4-[(2R)-2-methoxy-6-methylheptan-2-yl]benzoic acid |
| Manual Xrefs | Databases |
|---|---|
| 78442096 | ChemSpider |