EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:226232 - Fusarielin L

ChEBI IDCHEBI:226232
ChEBI NameFusarielin L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O4
Net Charge0
Average Mass442.640
Monoisotopic Mass442.30831
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@H]2OC(C)(C)OC[C@@H]2C)[C@@H]2C[C@@H]3O[C@]3(C)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C28H42O4/c1-9-16(2)23-19(12-10-11-17(3)24-18(4)15-29-26(5,6)31-24)20-13-22-27(7,30-22)14-21(20)25-28(23,8)32-25/h9-12,18-25H,13-15H2,1-8H3/b12-10+,16-9+,17-11+/t18-,19-,20-,21+,22-,23-,24+,25-,27+,28+/m0/s1
InChIKeySDQRHRGPQJYFAT-QYLPVXJHSA-N
Species of MetaboliteComponentSourceComments
Fusarium tricinctum (ncbitaxon:61284) - PubMed (28270687)
ChEBI Ontology
Outgoing Relation(s)
Fusarielin L (CHEBI:226232) is a oxacycle (CHEBI:38104)
IUPAC Name 
(1R,2S,4R,5R,6S,7S,9S,11R)-5-[(E)-but-2-en-2-yl]-4,11-dimethyl-6-[(1E,3E)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]penta-1,3-dienyl]-3,10-dioxatetracyclo[5.5.0.02,4.09,11]dodecane
Manual XrefsDatabases
78438812ChemSpider