input word = C00046535

Metabolite InformationStructural formula
Name Yesanchinoside I
(-)-Yesanchinoside I
Formula C59H100O26
Mw 1224.65028337
CAS RN 468733-01-9
C_ID C00046535 ,
InChIKey LKDAHGOPAGKHQL-ZYYHLXKHNA-N
InChICode InChI=1S/C59H100O26/c1-25(2)10-9-16-59(8,85-53-48(75)43(70)40(67)32(82-53)24-78-51-46(73)42(69)39(66)31(81-51)23-77-50-45(72)36(63)28(62)22-76-50)27-13-18-57(6)26(27)11-12-34-56(5)17-15-35(55(3,4)33(56)14-19-58(34,57)7)83-54-49(44(71)38(65)30(21-61)80-54)84-52-47(74)41(68)37(64)29(20-60)79-52/h10,26-54,60-75H,9,11-24H2,1-8H3/t26-,27+,28-,29-,30-,31-,32-,33+,34-,35+,36-,37-,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,49-,50-,51-,52+,53+,54+,56+,57-,58-,59+/m1/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[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]1CC[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 japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
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