input word = C00057399

Metabolite InformationStructural formula
Name Quinquenoside L16
Formula C54H94O25
Mw 1142.60841856
CAS RN 454686-08-9
C_ID C00057399
InChIKey WAKAZMOSWSBARM-CLUALXDPSA-N
InChICode InChI=1S/C54H94O25/c1-49(2)28-10-15-52(6)29(51(28,5)13-12-31(49)77-48-44(40(67)35(62)26(20-57)75-48)78-46-42(69)38(65)34(61)25(19-56)74-46)17-23(58)32-22(9-14-53(32,52)7)54(8,16-11-30(59)50(3,4)71)79-47-43(70)39(66)36(63)27(76-47)21-72-45-41(68)37(64)33(60)24(18-55)73-45/h22-48,55-71H,9-21H2,1-8H3/t22-,23+,24+,25+,26+,27+,28-,29+,30?,31-,32-,33+,34+,35+,36+,37-,38-,39-,40-,41+,42+,43+,44+,45+,46-,47-,48-,51-,52+,53+,54-/m0/s1
SMILES CC(C)(O)C(O)CC[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@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium Ref.
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