input word = C00048333

Metabolite InformationStructural formula
Name Bethoside B
(-)-Bethoside B
Formula C45H76O19
Mw 920.49808025
CAS RN 1142859-76-4
C_ID C00048333 ,
InChIKey FBWFFFFKSSYPHP-PQAKYFKLNA-N
InChICode InChI=1S/C45H76O19/c1-19(18-59-41-38(57)35(54)32(51)28(15-46)61-41)5-8-26(49)20(2)31-27(50)14-25-23-7-6-21-13-22(9-11-44(21,3)24(23)10-12-45(25,31)4)60-43-40(37(56)34(53)30(17-48)63-43)64-42-39(58)36(55)33(52)29(16-47)62-42/h6,19-20,22-43,46-58H,5,7-18H2,1-4H3/t19-,20-,22+,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,33+,34-,35+,36-,37+,38-,39-,40-,41-,42+,43-,44+,45+/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1)([C@H]([C@H](C3)O)[C@@H]([C@@H](CC[C@H](CO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)O)C)C)CC=C1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)CO)O)O)O)O)O)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllalesBeta vulgaris Ref.
zoom in