input word = C00032714

Metabolite InformationStructural formula
Name Araliasaponin II
Araliasaponin II (Aralia elata)
Formula C47H76O19
Mw 944.49808025
CAS RN 289649-65-6
C_ID C00032714 ,
InChIKey YDZLBSWZAGVYGM-ZPEFZOOHNA-N
InChICode InChI=1S/C47H76O19/c1-42(2)13-14-47(41(60)66-40-35(58)33(56)31(54)25(18-49)63-40)22(15-42)21-7-8-27-43(3)11-10-29(44(4,20-50)26(43)9-12-45(27,5)46(21,6)16-28(47)52)64-38-36(59)37(23(51)19-61-38)65-39-34(57)32(55)30(53)24(17-48)62-39/h7,22-40,48-59H,8-20H2,1-6H3/t22-,23-,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40-,43-,44-,45+,46+,47+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC[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@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia decaisneana Ref.
PlantaeAraliaceaeAralia elata Ref.
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OrganismAralia decaisneana
ReferenceT. Miyase et al., Chem. Abs., (1996), 124, 284311.