input word = C00023654

Metabolite InformationStructural formula
Name 12-O-Acetylfusicoccin
Formula C38H58O13
Mw 722.38774194
CAS RN 21885-15-4
C_ID C00023654 ,
InChIKey CVFZKEUWSYMHJD-OGVBVEDONA-N
InChICode InChI=1S/C38H58O13/c1-11-37(7,8)47-18-28-32(43)35(49-23(6)41)33(44)36(50-28)51-34-30-26(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(34)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@H]1([C@H]2C(=C[C@@]3(C(=C(C[C@@H]3OC(=O)C)[C@@H](COC(=O)C)C)[C@H]([C@@H]1O)O[C@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC(=O)C)O)COC(C=C)(C)C)C)[C@H](CC2)COC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaeFusicoccum amygdali Ref.
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