input word = C00023652

Metabolite InformationStructural formula
Name Isofusicoccin
F/III
Formula C36H56O12
Mw 680.37717725
CAS RN 28225-14-1
C_ID C00023652 ,
InChIKey ZWOUNVTYMHVWJL-KBOMLWFXNA-N
InChICode InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-32(46-21(5)38)30(41)31(42)34(47-26)48-33-28-24(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(33)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=CC(C)(C)OCC1O[C@H](O[C@@H]2C3=C(C(C)COC(C)=O)C[C@H](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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