input word = C00032715

Metabolite InformationStructural formula
Name Araliasaponin III (Aralia elata)
(-)-Araliasaponin III (Aralia elata)
Araliasaponin III
Formula C53H86O23
Mw 1090.55598906
CAS RN 289649-66-7
C_ID C00032715 ,
InChIKey AHEWVDSAOCOLCK-ZIUCMKMQNA-N
InChICode InChI=1S/C53H86O23/c1-48(2)14-15-53(47(68)76-45-38(65)36(63)33(60)26(19-55)71-45)23(16-48)22-8-9-29-50(5)12-11-31(49(3,4)28(50)10-13-51(29,6)52(22,7)17-30(53)58)73-43-39(66)41(24(57)21-69-43)74-46-40(67)42(34(61)27(20-56)72-46)75-44-37(64)35(62)32(59)25(18-54)70-44/h8,23-46,54-67H,9-21H2,1-7H3/t23-,24-,25+,26+,27+,28-,29+,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44-,45-,46-,50-,51+,52+,53+/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]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)[C@H]7O)[C@H]6O)C(C)(C)[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.