input word = C00038804

Metabolite InformationStructural formula
Name Cleistrioside 2
(-)-Cleistrioside 2
Formula C40H66O18
Mw 834.42491531
CAS RN 249922-58-5
C_ID C00038804 ,
InChIKey YNOHLEPKDHCXPI-YETVISBJNA-N
InChICode InChI=1S/C40H66O18/c1-10-11-12-13-14-15-16-17-18-19-20-48-38-29(46)35(32(21(2)49-38)53-25(6)42)57-40-37(56-28(9)45)36(33(23(4)51-40)54-26(7)43)58-39-30(47)34(55-27(8)44)31(22(3)50-39)52-24(5)41/h21-23,29-40,46-47H,10-20H2,1-9H3/t21-,22-,23-,29+,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-/m0/s1
SMILES CCCCCCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[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](OC(C)=O)[C@@H](OC(C)=O)[C@H]3O)[C@H]2OC(C)=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeCleistopholis patens Ref.
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