input word = C00038803

Metabolite InformationStructural formula
Name Cleistrioside 1
Formula C38H64O17
Mw 792.41435062
CAS RN 115547-22-3
C_ID C00038803 ,
InChIKey ASCZUPVAIAVNIM-IWMPTURYNA-N
InChICode InChI=1S/C38H64O17/c1-9-10-11-12-13-14-15-16-17-18-19-46-36-28(44)27(43)30(20(2)47-36)54-37-29(45)33(31(21(3)48-37)50-23(5)39)55-38-35(53-26(8)42)34(52-25(7)41)32(22(4)49-38)51-24(6)40/h20-22,27-38,43-45H,9-19H2,1-8H3/t20-,21-,22-,27+,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-/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](OC(=O)C)[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