input word = C00023655

Metabolite InformationStructural formula
Name 12-O-Acetylisofusicoccin
Formula C38H58O13
Mw 722.38774194
CAS RN 53938-67-3
C_ID C00023655 ,
InChIKey IIWRLSRMIDNJKG-VECQNZAZNA-N
InChICode InChI=1S/C38H58O13/c1-11-37(7,8)47-18-28-34(49-23(6)41)32(43)33(44)36(50-28)51-35-30-26(19(2)16-46-21(4)39)14-29(48-22(5)40)38(30,9)15-27-24(17-45-10)12-13-25(27)20(3)31(35)42/h11,15,19-20,24-25,28-29,31-36,42-44H,1,12-14,16-18H2,2-10H3/b27-15-/t19-,20-,24-,25+,28-,29+,31-,32-,33+,34-,35-,36-,38+/m1/s1
SMILES C=CC(C)(C)OCC1O[C@H](O[C@@H]2C3=C(C(C)COC(C)=O)C[C@H](OC(C)=O)[C@]3(C)/C=C3/[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)C(O)[C@@H](O)[C@@H]1OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaeFusicoccum amygdali Ref.
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OrganismFusicoccum amygdali
ReferenceBallio,12-0-Acetylfusiococcin and 12-0-Acetylisofusicoccin

Two New Minor Metabolites of Fusicoccum amygdali Del.

Experientia,30,(1974),1108-1109