input word = C00041468

Metabolite InformationStructural formula
Name Cyclocanthoside D
Formula C41H70O14
Mw 786.47655695
CAS RN 115338-09-5
C_ID C00041468 ,
InChIKey PFJSVPFXGSIFAR-LOFKAZHVNA-N
InChICode InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-22(53-35-32(50)30(48)29(47)23(16-42)54-35)15-39(7)24-14-20(43)33-36(2,3)26(55-34-31(49)28(46)21(44)17-52-34)10-11-41(33)18-40(24,41)13-12-38(27,39)6/h19-35,42-51H,8-18H2,1-7H3/t19-,20+,21-,22+,23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35-,38-,39+,40+,41-/m1/s1
SMILES C1[C@]23[C@H]([C@]4([C@](C1)([C@H]([C@H](C4)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)[C@@H](CC[C@H](O)C(C)(C)O)C)C)C)C[C@@H]([C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)C3)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus cephalotes var.brevicalyx Ref.
zoom in