input word = C00056805

Metabolite InformationStructural formula
Name Notoginsenoside ST2
Formula C43H74O15
Mw 830.5027717
CAS RN 1013121-51-1
C_ID C00056805
InChIKey UYKWMKNCBVNDBR-JBBUCRMZSA-N
InChICode InChI=1S/C43H74O15/c1-20(16-23(54-9)36(52)40(4,5)53)21-10-14-43(8)29(21)22(46)17-27-41(6)13-12-28(39(2,3)26(41)11-15-42(27,43)7)57-38-35(33(50)31(48)25(19-45)56-38)58-37-34(51)32(49)30(47)24(18-44)55-37/h16,21-38,44-53H,10-15,17-19H2,1-9H3/b20-16+/t21-,22-,23?,24-,25-,26+,27-,28+,29+,30-,31-,32+,33+,34-,35-,36?,37+,38+,41+,42-,43-/m1/s1
SMILES CC(C)(O)C(O)C(OC)/C=C(C)/[C@H]1CC[C@@]2(C)[C@]([C@]3([H])C[C@@H](O)[C@@]21[H])(C)CC[C@@]([C@]3(C)CC4)([H])C(C)(C)[C@H]4O[C@H]5[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@@H](CO)O5
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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