input word = C00032972

Metabolite InformationStructural formula
Name Fargoside C
(+)-Fargoside C
Formula C45H68O18
Mw 896.44056537
CAS RN 365541-53-3
C_ID C00032972 ,
InChIKey QPSNSIIECCQDHT-UOXMJLRGNA-N
InChICode InChI=1S/C45H68O18/c1-20-8-13-45(40(56)57)15-14-43(4)21(22(45)16-20)6-7-26-41(2)11-10-27(42(3,19-46)25(41)9-12-44(26,43)5)61-39-35(63-37-32(52)28(48)23(47)17-58-37)29(49)24(18-59-39)60-38-33(53)30(50)31(51)34(62-38)36(54)55/h6,22-35,37-39,46-53H,1,7-19H2,2-5H3,(H,54,55)(H,56,57)/t22-,23-,24-,25+,26+,27-,28-,29-,30-,31-,32+,33+,34-,35+,37-,38+,39-,41-,42-,43+,44+,45-/m0/s1
SMILES C1(=C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H]([C@]1(CO)C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)C(=O)O)O)O[C@H]1[C@@H]([C@H]([C@H](CO1)O)O)O)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeHolboellia fargesii Ref.
zoom in