input word = C00030265

Metabolite InformationStructural formula
Name Floralquinquenoside B
Formula C42H72O15
Mw 816.48712163
CAS RN 958641-32-2
C_ID C00030265 ,
InChIKey YDVZWJBDTALPRC-ITZDLAPMNA-N
InChICode InChI=1S/C42H72O15/c1-19(2)23(57-52)11-15-42(9,51)21-10-14-40(7)28(21)22(44)16-26-39(6)13-12-27(45)38(4,5)35(39)24(17-41(26,40)8)54-37-34(32(49)30(47)25(18-43)55-37)56-36-33(50)31(48)29(46)20(3)53-36/h20-37,43-52H,1,10-18H2,2-9H3/t20-,21-,22+,23-,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1
SMILES C=C(C)C(CC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium L. Ref.
zoom in