EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H28O3 |
| Net Charge | 0 |
| Average Mass | 316.441 |
| Monoisotopic Mass | 316.20384 |
| SMILES | C=C1CC[C@]2(C)C(=C)C(=CC[C@H]2C)C(=O)[C@H]2O[C@]2(C)CC[C@@H]1O |
| InChI | InChI=1S/C20H28O3/c1-12-8-10-19(4)13(2)6-7-15(14(19)3)17(22)18-20(5,23-18)11-9-16(12)21/h7,13,16,18,21H,1,3,6,8-11H2,2,4-5H3/t13-,16+,18-,19+,20-/m1/s1 |
| InChIKey | LUCLHXFDITWQHG-SMUISQBPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Phomactin N (CHEBI:217348) is a secondary alcohol (CHEBI:35681) |
| IUPAC Name |
|---|
| (3S,5R,8S,12S,13R)-8-hydroxy-5,12,13-trimethyl-9,16-dimethylidene-4-oxatricyclo[10.3.1.03,5]hexadec-1(15)-en-2-one |