input word = C00058421

Metabolite InformationStructural formula
Name Clemastanoside B
Formula C65H106O30
Mw 1366.67689205
CAS RN 172670-45-0
C_ID C00058421
InChIKey BBNHCUYDBRMLRW-UHFFFAOYSA-N
InChICode InChI=1S/C65H106O30/c1-25-36(69)41(74)46(79)55(86-25)92-50-31(22-67)89-53(48(81)44(50)77)85-24-32-40(73)42(75)47(80)56(90-32)95-59(83)65-18-16-60(3,4)20-28(65)27-10-11-34-62(7)14-13-35(61(5,6)33(62)12-15-64(34,9)63(27,8)17-19-65)91-58-52(43(76)39(72)30(21-66)88-58)94-57-49(82)51(37(70)26(2)87-57)93-54-45(78)38(71)29(68)23-84-54/h10,25-26,28-58,66-82H,11-24H2,1-9H3
SMILES CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OC(CO)C(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(C)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis stans Ref.
zoom in