input word = C00030255

Metabolite InformationStructural formula
Name Floralginsenoside B
Formula C42H72O16
Mw 832.48203625
CAS RN 942586-97-2
C_ID C00030255 ,
InChIKey SQJZFCXTJOJNPI-VEJLNLQBNA-N
InChICode InChI=1S/C42H72O16/c1-37(2,58-53)12-9-13-42(8,57-36-33(52)31(50)29(48)24(19-44)56-36)20-10-15-40(6)27(20)21(45)16-25-39(5)14-11-26(46)38(3,4)34(39)22(17-41(25,40)7)54-35-32(51)30(49)28(47)23(18-43)55-35/h9,12,20-36,43-53H,10-11,13-19H2,1-8H3/b12-9+/t20-,21+,22-,23+,24+,25+,26-,27-,28+,29+,30-,31-,32+,33+,34-,35+,36-,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)(C/C=C/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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