input word = C00030262

Metabolite InformationStructural formula
Name Floralginsenoside O
(+)-Floralginsenoside O
Formula C53H90O24
Mw 1110.58220381
CAS RN 952579-95-2
C_ID C00030262 ,
InChIKey IUIXATBUTPCREK-MQRNCKEFNA-N
InChICode InChI=1S/C53H90O24/c1-48(2,77-68)13-9-14-53(8,76-46-42(67)38(63)36(61)28(73-46)22-69-44-40(65)35(60)27(21-56)70-44)23-10-16-52(7)32(23)24(57)18-30-50(5)15-12-31(49(3,4)29(50)11-17-51(30,52)6)74-47-43(39(64)34(59)26(20-55)72-47)75-45-41(66)37(62)33(58)25(19-54)71-45/h9,13,23-47,54-68H,10-12,14-22H2,1-8H3/b13-9+/t23-,24+,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44+,45-,46-,47-,50-,51+,52+,53-/m0/s1
SMILES CC(C)(/C=C/C[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
zoom in