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 C[C@H](CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@@]2(C)[C@H]3C(=CC[C@]12C)C[C@]12O[C@H]3C[C@H]1C(C)(C)[C@H](O)C[C@@H]2O
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