EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:222073 - Terreolide B
| Formula | C30H44O6 |
| Net Charge | 0 |
| Average Mass | 500.676 |
| Monoisotopic Mass | 500.31379 |
| SMILES | C=C1CC[C@@H](CC[C@H]2CC[C@]3(OC2)O[C@H]2C[C@]3(C)OC(C)(C)C2=O)C(C)(C)[C@H]1CC=C1CCOC1=O |
| InChI | InChI=1S/C30H44O6/c1-19-7-10-22(27(2,3)23(19)12-9-21-14-16-33-26(21)32)11-8-20-13-15-30(34-18-20)29(6)17-24(35-30)25(31)28(4,5)36-29/h9,20,22-24H,1,7-8,10-18H2,2-6H3/t20-,22-,23-,24-,29-,30-/m0/s1 |
| InChIKey | GNCISGASFVPTHV-HNGWHGCHSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Tricholoma terreum (ncbitaxon:76328) | - | PubMed (24753190) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Terreolide B (CHEBI:222073) is a oxacycle (CHEBI:38104) |
| IUPAC Name |
|---|
| (1S,5S,5'S,7S)-5'-[2-[(1R,3S)-2,2-dimethyl-4-methylidene-3-[2-(2-oxooxolan-3-ylidene)ethyl]cyclohexyl]ethyl]-1,3,3-trimethylspiro[2,6-dioxabicyclo[3.2.1]octane-7,2'-oxane]-4-one |