input word = C00054463

Metabolite InformationStructural formula
Name Congmuyanoside C
Formula C42H68O14
Mw 796.46090688
CAS RN 876407-08-8
C_ID C00054463
InChIKey SXYITVJWJDUAEK-FXZKPUGESA-N
InChICode InChI=1S/C42H68O14/c1-37(2)14-15-42(36(51)52)21(16-37)20-8-9-25-39(5)12-11-27(38(3,4)24(39)10-13-40(25,6)41(20,7)17-26(42)45)55-34-32(50)30(48)33(23(19-44)54-34)56-35-31(49)29(47)28(46)22(18-43)53-35/h8,21-35,43-50H,9-19H2,1-7H3,(H,51,52)/t21-,22+,23+,24-,25+,26+,27-,28+,29-,30+,31+,32+,33+,34-,35-,39-,40+,41+,42+/m0/s1
SMILES C[C@@]12[C@](CC[C@]3(C)[C@]2([H])CC=C4[C@@]3(C)C[C@@H](O)[C@]5(C(O)=O)[C@@]4([H])CC(C)(C)CC5)([H])C(C)(C)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@H](CO)O6)CC1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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