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 C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](C[C@@H]2O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(CC[C@H](C(=C)C)OO)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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