input word = C00041452

Metabolite InformationStructural formula
Name Cleistetroside 5
(-)-Cleistetroside 5
Formula C40H70O19
Mw 854.45113006
CAS RN 115547-17-6
C_ID C00041452 ,
InChIKey QIUNGNZUSIAZDW-YIXJYSFENA-N
InChICode InChI=1S/C40H70O19/c1-8-9-10-11-12-13-14-15-16-17-18-50-37-30(48)28(46)32(21(4)53-37)57-39-31(49)35(33(22(5)54-39)55-23(6)41)59-40-36(56-24(7)42)34(26(44)20(3)52-40)58-38-29(47)27(45)25(43)19(2)51-38/h19-22,25-40,43-49H,8-18H2,1-7H3/t19-,20-,21-,22-,25-,26-,27+,28+,29+,30+,31+,32-,33-,34+,35-,36+,37+,38-,39-,40-/m0/s1
SMILES CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@H]3OC(C)=O)[C@H]2O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeCleistopholis patens Ref.
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