input word = C00037735

Metabolite InformationStructural formula
Name Rivaloside B
(-)-Rivaloside B
Formula C42H66O15
Mw 810.44017144
CAS RN 284045-94-9
C_ID C00037735 ,
InChIKey IJNBZFKLLWEYPB-SHPNRAKXNA-N
InChICode InChI=1S/C42H66O15/c1-37(2)12-14-42(36(53)57-35-31(50)29(48)27(46)22(56-35)18-54-34-30(49)28(47)26(45)21(17-43)55-34)15-13-40(6)19(25(42)33(37)52)8-9-24-39(5)16-20(44)32(51)38(3,4)23(39)10-11-41(24,40)7/h8,20-32,34-35,43-51H,9-18H2,1-7H3/t20-,21-,22-,23+,24-,25-,26-,27-,28+,29+,30-,31-,32-,34-,35+,39+,40-,41-,42+/m1/s1
SMILES [C@@H]1([C@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)(CCC(C1=O)(C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)(C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeGalium rivale Ref.
zoom in