input word = C00000884

Metabolite InformationStructural formula
Name Fusicoccin
Formula C36H56O12
Mw 680.37717725
CAS RN 20108-30-9
C_ID C00000884 ,
InChIKey KXTYBXCEQOANSX-QIFXBJPXNA-N
InChICode InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/b25-14-/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1
SMILES [C@@]12(C(=C(C[C@@H]2O)[C@@H](COC(=O)C)C)[C@H]([C@@H]([C@@H]([C@H]2C(=C1)[C@H](CC2)COC)C)O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)C)O)COC(C=C)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaeFusicoccum amygdali Del Ref.
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OrganismFusicoccum amygdali Del
ReferenceBanerji,J.Chem.Soc,Perkin Trans I,(1976),2221

Banerji,J.Chem.Soc,Chem.Commun,(1978),843