input word = C00043890

Metabolite InformationStructural formula
Name Saniculasaponin V
Formula C63H98O29
Mw 1318.61937717
CAS RN 675830-89-4
C_ID C00043890 ,
InChIKey LUZJSWAKGFAAQC-UDMGZRTDNA-N
InChICode InChI=1S/C63H98O29/c1-13-24(2)53(81)91-51-50(92-56-46(84-27(5)68)41(75)43(25(3)82-56)83-26(4)67)58(6,7)20-29-28-14-15-33-60(10)18-17-34(59(8,9)32(60)16-19-61(33,11)62(28,12)48(77)49(78)63(29,51)23-66)87-57-47(90-55-40(74)38(72)36(70)31(22-65)86-55)44(42(76)45(89-57)52(79)80)88-54-39(73)37(71)35(69)30(21-64)85-54/h13-14,25,29-51,54-57,64-66,69-78H,15-23H2,1-12H3,(H,79,80)/b24-13-/t25-,29-,30+,31+,32-,33+,34-,35-,36+,37-,38-,39+,40+,41+,42-,43-,44-,45-,46+,47+,48-,49+,50-,51-,54-,55-,56-,57+,60-,61+,62-,63-/m0/s1
SMILES C/C=C(/C)C(=O)O[C@H]1[C@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2OC(C)=O)C(C)(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)[C@@H](O)[C@@H](O)[C@]21CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeSanicula elata var.chinensis Makino Ref.
zoom in



OrganismSanicula elata var.chinensis Makino
ReferenceMatsushita,J.Nat.Prod.,67,(2004),377