EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H30O4 |
| Net Charge | 0 |
| Average Mass | 334.456 |
| Monoisotopic Mass | 334.21441 |
| SMILES | C[C@@H]1CC[C@]2(C)C(C[C@@H](O)[C@H](O)[C@]23CO3)[C@@]1(C)CCc1ccoc1 |
| InChI | InChI=1S/C20H30O4/c1-13-4-8-19(3)16(10-15(21)17(22)20(19)12-24-20)18(13,2)7-5-14-6-9-23-11-14/h6,9,11,13,15-17,21-22H,4-5,7-8,10,12H2,1-3H3/t13-,15-,16?,17+,18+,19-,20-/m1/s1 |
| InChIKey | DORFFLQTHPKFDY-OVOGFQNCSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3S,4R,4aR,7R,8S)-8-[2-(furan-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol (CHEBI:182904) is a heteroarene (CHEBI:33833) |
| IUPAC Name |
|---|
| (2R,3S,4R,4aR,7R,8S)-8-[2-(uran-3-yl)ethyl]-4a,7,8-trimethylspiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-2,3-diol |
| Manual Xrefs | Databases |
|---|---|
| 22913298 | ChemSpider |