input word = C00038802

Metabolite InformationStructural formula
Name Cleistetroside 2
(-)-Cleistetroside 2
Formula C44H74O21
Mw 938.47225943
CAS RN 115547-19-8
C_ID C00038802 ,
InChIKey LWOBLAUKUYVZAM-CCCZOJLXNA-N
InChICode InChI=1S/C44H74O21/c1-10-11-12-13-14-15-16-17-18-19-20-54-41-31(51)29(49)35(22(3)55-41)63-43-33(53)38(36(23(4)57-43)60-26(7)46)64-44-40(62-28(9)48)39(37(24(5)58-44)61-27(8)47)65-42-32(52)30(50)34(21(2)56-42)59-25(6)45/h21-24,29-44,49-53H,10-20H2,1-9H3/t21-,22-,23-,24-,29+,30-,31+,32+,33+,34-,35-,36-,37-,38-,39+,40+,41+,42-,43-,44-/m0/s1
SMILES [C@@H]1([C@H]([C@@H](O[C@H]([C@@H]1O)OCCCCCCCCCCCC)C)O[C@H]1[C@@H]([C@H](O[C@H]2[C@@H]([C@H](O[C@H]3[C@@H]([C@H](O)[C@H]([C@@H](O3)C)OC(=O)C)O)[C@H]([C@@H](O2)C)OC(=O)C)OC(=O)C)[C@H]([C@@H](O1)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeCleistopholis patens Ref.
zoom in