EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C26H38O4 |
| Net Charge | 0 |
| Average Mass | 414.586 |
| Monoisotopic Mass | 414.27701 |
| SMILES | CO[C@@H](CC[C@H](C)[C@H]1O[C@@]2(C=C[C@@H]1C)CC(=O)[C@H](C)CC2(C)C)c1cccc(O)c1 |
| InChI | InChI=1S/C26H38O4/c1-17(10-11-23(29-6)20-8-7-9-21(27)14-20)24-18(2)12-13-26(30-24)16-22(28)19(3)15-25(26,4)5/h7-9,12-14,17-19,23-24,27H,10-11,15-16H2,1-6H3/t17-,18-,19+,23-,24+,26-/m0/s1 |
| InChIKey | WNIXOWWYRPQPKS-GTFPVTLOSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Lyngbya (ncbitaxon:28073) | - | DOI (10.1039/c9ra00965e) | |
| Moorena producens (ncbitaxon:1155739) | - | DOI (10.1016/j.tet.2019.03.020) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Oscillatoxin F (CHEBI:211162) is a benzyl ether (CHEBI:59859) |
| IUPAC Names |
|---|
| (2R,3S,6R,9R)-2-[(2S,5S)-5-(3-hydroxyphenyl)-5-methoxypentan-2-yl]-3,9,11,11-tetramethyl-1-oxaspiro[5.5]undec-4-en-8-one |
| [(2R,3R)-2-methyl-5-oxooxolan-3-yl] 2-[(6S,8R,9S,10S)-8-[(2S,5S)-5-(2-bromo-5-hydroxyphenyl)-5-methoxypentan-2-yl]-10-methoxy-3,5,5,9-tetramethyl-1,7-dioxaspiro[5.5]undec-2-en-2-yl]acetate |