input word = C00040414

Metabolite InformationStructural formula
Name Sutherlandioside A
(+)-Sutherlandioside A
Formula C36H60O10
Mw 652.41864814
CAS RN 1055329-46-8
C_ID C00040414 ,
InChIKey IJIRIYRJOZNSDB-DFVOVPRANA-N
InChICode InChI=1S/C36H60O10/c1-18(8-9-24(38)33(4,5)46-31-30(43)29(42)28(41)22(17-37)44-31)20-11-13-35(7)27-19(10-12-34(20,35)6)16-36-23(14-21(27)45-36)32(2,3)25(39)15-26(36)40/h10,18,20-31,37-43H,8-9,11-17H2,1-7H3/t18-,20-,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,34-,35+,36+/m1/s1
SMILES C1[C@@H]2[C@@]3(CC4=CC[C@]5([C@]([C@@H]4[C@H]1O3)(CC[C@@H]5[C@@H](CC[C@@H](C(O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C)O)C)C)C)[C@H](C[C@H](C2(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeSutherlandia frutescens Ref.
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OrganismSutherlandia frutescens
ReferenceFu,J.Nat.Prod.,71,(2008),1749