input word = C00063432

Metabolite InformationStructural formula
Name Floralginsenoside G
Formula C50H84O21
Mw 1020.55050975
CAS RN 937171-07-8
C_ID C00063432
InChIKey NXSNBCOBWLTHOE-GMFSTLSFSA-N
InChICode InChI=1S/C50H84O21/c1-23(53)64-22-28-35(57)37(59)39(61)42(67-28)69-41-38(60)34(56)27(21-52)66-44(41)68-31-13-16-47(6)29(46(31,4)5)12-18-48(7)30(47)19-25(54)32-24(11-17-49(32,48)8)50(9,15-10-14-45(2,3)71-63)70-43-40(62)36(58)33(55)26(20-51)65-43/h10,14,24-44,51-52,54-63H,11-13,15-22H2,1-9H3/b14-10+/t24-,25+,26+,27+,28+,29-,30+,31-,32-,33+,34+,35+,36-,37-,38-,39+,40+,41+,42-,43-,44-,47-,48+,49+,50-/m0/s1
SMILES CC(=O)OCC1OC(OC2C(OC3CCC4(C)C(CCC5(C)C4CC(O)C4C(C(C)(CC=CC(C)(C)OO)OC6OC(CO)C(O)C(O)C6O)CCC45C)C3(C)C)OC(CO)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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