input word = C00032971

Metabolite InformationStructural formula
Name Fargoside B
(+)-Fargoside B
Formula C46H74O18
Mw 914.48751556
CAS RN 365541-52-2
C_ID C00032971 ,
InChIKey LUXWHJFRMMPTNB-MYGYOORGNA-N
InChICode InChI=1S/C46H74O18/c1-21-29(50)32(53)34(55)38(61-21)64-36-35(63-37-33(54)30(51)24(48)19-59-37)31(52)25(18-47)62-39(36)60-20-43(4)26-9-12-45(6)27(42(26,3)11-10-28(43)49)8-7-22-23-17-41(2,58)13-15-46(23,40(56)57)16-14-44(22,45)5/h7,21,23-39,47-55,58H,8-20H2,1-6H3,(H,56,57)/t21-,23+,24+,25-,26-,27-,28+,29+,30+,31-,32+,33-,34-,35+,36-,37+,38+,39-,41-,42-,43-,44-,45-,46+/m1/s1
SMILES C[C@H]1O[C@@H](O[C@H]2[C@H](OCC3(C)[C@@H](O)CC[C@]4(C)[C@H]5CC=C6[C@@H]7C[C@](C)(O)CC[C@]7(C(=O)O)CC[C@@]6(C)[C@]5(C)CC[C@@H]34)O[C@H](CO)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeHolboellia fargesii Ref.
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OrganismHolboellia fargesii
ReferenceFu,Chem.Pharm.Bull.,49,(2001),999