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CHEBI:226227 - Fusarielin K

ChEBI IDCHEBI:226227
ChEBI NameFusarielin K
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O6
Net Charge0
Average Mass578.790
Monoisotopic Mass578.36074
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](OC(=O)Cc3ccccc3)[C@](C)(O)C[C@H]2[C@@H]2O[C@@]21C
InChIInChI=1S/C36H50O6/c1-9-22(2)31-26(17-13-14-23(3)32-24(4)21-39-34(5,6)41-32)27-19-29(40-30(37)18-25-15-11-10-12-16-25)35(7,38)20-28(27)33-36(31,8)42-33/h9-17,24,26-29,31-33,38H,18-21H2,1-8H3/b17-13+,22-9+,23-14+/t24-,26-,27-,28+,29+,31-,32+,33-,35+,36+/m0/s1
InChIKeyVZMNFEYDUQMUPB-ASRVIBJOSA-N
Species of MetaboliteComponentSourceComments
Fusarium tricinctum (ncbitaxon:61284) - PubMed (28270687)
ChEBI Ontology
Outgoing Relation(s)
Fusarielin K (CHEBI:226227) is a oxacycle (CHEBI:38104)
IUPAC Name 
[(1aR,2R,3S,3aS,5R,6R,7aR,7bS)-2-[(E)-but-2-en-2-yl]-6-hydroxy-1a,6-dimethyl-3-[(1E,3E)-4-[(4S,5S)-2,2,5-trimethyl-1,3-dioxan-4-yl]penta-1,3-dienyl]-2,3,3a,4,5,7,7a,7b-octahydronaphtho[1,2-b]oxiren-5-yl] 2-phenylacetate
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