input word = C00030254

Metabolite InformationStructural formula
Name Floralginsenoside A
Formula C42H72O16
Mw 832.48203625
CAS RN 942586-96-1
C_ID C00030254 ,
InChIKey UOOOLBYCGFVHQY-CRMFQGQNNA-N
InChICode InChI=1S/C42H72O16/c1-19(2)22(58-53)10-14-42(8,57-37-34(52)32(50)30(48)25(18-44)56-37)20-9-13-40(6)28(20)21(45)15-26-39(5)12-11-27(46)38(3,4)35(39)23(16-41(26,40)7)54-36-33(51)31(49)29(47)24(17-43)55-36/h20-37,43-53H,1,9-18H2,2-8H3/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]1O[C@H](CO)[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(C)(C)[C@@H]3[C@@H](O[C@@H]3O[C@H](CO)[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 ginseng Ref.
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