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CHEBI:219610 - Fusarielin F

Default Structure
ChEBI IDCHEBI:219610
ChEBI NameFusarielin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H36O5
Net Charge0
Average Mass416.558
Monoisotopic Mass416.25627
SMILESC/C=C(\C)[C@H]1[C@@H](/C=C/C=C(\C)[C@@H](O)[C@@H](C)C(=O)O)[C@@H]2CC=C(C)C[C@H]2C(=O)[C@]1(C)O
InChIInChI=1S/C25H36O5/c1-7-15(3)21-19(10-8-9-16(4)22(26)17(5)24(28)29)18-12-11-14(2)13-20(18)23(27)25(21,6)30/h7-11,17-22,26,30H,12-13H2,1-6H3,(H,28,29)/b10-8+,15-7+,16-9+/t17-,18+,19+,20-,21+,22-,25-/m1/s1
InChIKeyIOLXKDOORRFLDI-DRIBMPTRSA-N
Species of MetaboliteComponentSourceComments
Fusarium graminearum (ncbitaxon:5518) - PubMed (22252016)
ChEBI Ontology
Outgoing Relation(s)
Fusarielin F (CHEBI:219610) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(2R,3S,4E,6E)-7-[(1S,2R,3R,4aR,8aS)-2-[(E)-but-2-en-2-yl]-3-hydroxy-3,6-dimethyl-4-oxo-1,2,4a,5,8,8a-hexahydronaphthalen-1-yl]-3-hydroxy-2,4-dimethylhepta-4,6-dienoic acid