input word = C00030848

Metabolite InformationStructural formula
Name Notoginsenoside J
(+)-Notoginsenoside J
Formula C42H74O16
Mw 834.49768632
CAS RN 193977-11-6
C_ID C00030848 ,
InChIKey YFXPRCDUBFSHJY-RBSDECTLNA-N
InChICode InChI=1S/C42H74O16/c1-37(2)25(46)10-12-39(5)24-15-20(45)27-19(42(8,14-11-26(47)38(3,4)54)58-36-33(53)31(51)29(49)23(18-44)57-36)9-13-40(27,6)41(24,7)16-21(34(37)39)55-35-32(52)30(50)28(48)22(17-43)56-35/h19-36,43-54H,9-18H2,1-8H3/t19-,20+,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]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)([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)CC[C@@H](C(C)(C)O)O)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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