input word = C00057610

Metabolite InformationStructural formula
Name Notoginsenoside U
Formula C42H72O14
Mw 800.49220701
CAS RN 864678-35-3
C_ID C00057610
InChIKey RZNJATZIIIKWBE-HHNZYBFYSA-N
InChICode InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(55-37)19-53-36-33(51)31(49)29(47)24(18-43)54-36)21-11-15-40(6)28(21)22(44)16-26-39(5)14-12-27(46)38(3,4)35(39)23(45)17-41(26,40)7/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
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