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@]1(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@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)C)O)C)C)C(=O)O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeHolboellia fargesii Ref.
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