EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C15H18O8 |
| Net Charge | 0 |
| Average Mass | 326.301 |
| Monoisotopic Mass | 326.10017 |
| SMILES | CC(C)(C)[C@]1(O)C[C@@H]2OC(=O)C[C@@]23C(=O)O[C@@H]2OC(=O)[C@H](O)[C@]213 |
| InChI | InChI=1S/C15H18O8/c1-12(2,3)14(20)4-6-13(5-7(16)21-6)10(19)23-11-15(13,14)8(17)9(18)22-11/h6,8,11,17,20H,4-5H2,1-3H3/t6-,8-,11-,13-,14+,15+/m0/s1 |
| InChIKey | MOLPUWBMSBJXER-YDGSQGCISA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bilobalide (CHEBI:3103) is a sesquiterpene lactone (CHEBI:37667) |
| IUPAC Name |
|---|
| (3aS,8R,8aS,9R,10aS)-9-tert-butyl-8,9-dihydroxydihydro-9H-furo[2,3-b]furo[3',2':2,3]cyclopenta[1,2-c]furan-2,4,7(3H,8H)-trione |
| Registry Numbers | Sources |
|---|---|
| Beilstein:5303543 | Beilstein |
| CAS:33570-04-6 | KEGG COMPOUND |
| CAS:33570-04-6 | ChemIDplus |