input word = C00030630

Metabolite InformationStructural formula
Name Lancemaside C
(-)-Lancemaside C
Formula C58H92O27
Mw 1220.58259774
CAS RN 1039450-78-6
C_ID C00030630 ,
InChIKey BXHKXAJRNKNUAU-CUQNIPHHNA-N
InChICode InChI=1S/C58H92O27/c1-22-42(81-47-38(69)32(63)25(60)20-76-47)37(68)41(72)48(78-22)84-45-43(82-49-39(70)34(65)33(64)27(19-59)79-49)26(61)21-77-51(45)85-52(75)58-16-15-53(2,3)17-24(58)23-9-10-29-55(6)13-12-31(80-50-40(71)35(66)36(67)44(83-50)46(73)74)54(4,5)28(55)11-14-56(29,7)57(23,8)18-30(58)62/h9,22,24-45,47-51,59-72H,10-21H2,1-8H3,(H,73,74)/t22-,24-,25+,26+,27+,28-,29+,30+,31-,32-,33+,34-,35-,36-,37-,38+,39+,40+,41+,42-,43+,44-,45-,47-,48-,49-,50+,51+,55-,56+,57+,58+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)OC[C@@H](O)[C@@H]2O[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]1OC[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCampanulaceae/LobeliaceaeCodonopsis lanceolata Ref.
zoom in