input word = C00032713

Metabolite InformationStructural formula
Name Araliasaponin I (Aralia elata)
(-)-Araliasaponin I (Aralia elata)
Araliasaponin I
Formula C47H76O18
Mw 928.50316563
CAS RN 289649-54-3
C_ID C00032713 ,
InChIKey DYJBTUINEBYYQT-HOBPAGACNA-N
InChICode InChI=1S/C47H76O18/c1-42(2)14-15-47(41(59)65-40-35(57)33(55)31(53)25(19-49)62-40)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-38-36(58)37(23(50)20-60-38)64-39-34(56)32(54)30(52)24(18-48)61-39/h8,22-40,48-58H,9-20H2,1-7H3/t22-,23-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35+,36+,37-,38-,39-,40+,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)(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 elata
ReferenceSong,Chem.Pharm.Bull.,48,(2000),838