input word = C00035286

Metabolite InformationStructural formula
Name Cyclocanthoside E
Formula C41H70O14
Mw 786.47655695
CAS RN 170969-74-1
C_ID C00035286 ,
InChIKey AOIXFGYGQDSQIU-LOFKAZHVNA-N
InChICode InChI=1S/C41H70O14/c1-19(8-9-25(45)37(4,5)51)27-20(43)15-39(7)24-14-22(53-35-32(50)30(48)29(47)23(16-42)54-35)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@@H](C([C@H]2[C@]3(C1)[C@]1([C@@H](C[C@@H]2O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)[C@]2([C@](CC1)([C@H]([C@H](C2)O)[C@H](C)CC[C@@H](C(O)(C)C)O)C)C)C3)(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus cephalotes var. brevicalyx Ref.
PlantaeFabaceaeAstragalus microcephalus Ref.
PlantaeFabaceaeAstragalus oleifolius Ref.
PlantaeMalvaceaeWaltheria douradinha Ref.
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OrganismAstragalus oleifolius
ReferenceOzipek, et al., Phytochemistry, 66, (2005), 1168.