EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H26O4 |
| Net Charge | 0 |
| Average Mass | 354.446 |
| Monoisotopic Mass | 354.18311 |
| SMILES | CC(C)=CCc1cc2c(c3c1[C@@H]1C[C@H](C3=O)[C@@H]1C)OC(C)(C)[C@H](O)C2=O |
| InChI | InChI=1S/C22H26O4/c1-10(2)6-7-12-8-15-19(24)21(25)22(4,5)26-20(15)17-16(12)13-9-14(11(13)3)18(17)23/h6,8,11,13-14,21,25H,7,9H2,1-5H3/t11-,13-,14+,21-/m1/s1 |
| InChIKey | YRDFJEHXATZPAY-AQAANPNCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Aintennol F (CHEBI:224039) is a organic heterotricyclic compound (CHEBI:26979) |
| Aintennol F (CHEBI:224039) is a organooxygen compound (CHEBI:36963) |
| IUPAC Name |
|---|
| (1R,7S,13S,14R)-7-hydroxy-8,8,14-trimethyl-3-(3-methylbut-2-enyl)-9-oxatetracyclo[11.1.1.02,11.05,10]pentadeca-2(11),3,5(10)-triene-6,12-dione |
| Manual Xrefs | Databases |
|---|---|
| 128443662 | ChemSpider |