input word = C00036737

Metabolite InformationStructural formula
Name Araliasaponin VI
Formula C54H88O24
Mw 1120.56655374
CAS RN 340982-21-0
C_ID C00036737 ,
InChIKey OIMHYZAWACXBBH-UEVFHADZNA-N
InChICode InChI=1S/C54H88O24/c1-49(2)14-15-54(48(70)78-46-41(69)38(66)34(62)26(20-57)73-46)23(16-49)22-8-9-29-51(5)12-11-31(50(3,4)28(51)10-13-52(29,6)53(22,7)17-30(54)59)75-47-43(77-45-40(68)37(65)33(61)25(19-56)72-45)42(35(63)27(21-58)74-47)76-44-39(67)36(64)32(60)24(18-55)71-44/h8,23-47,55-69H,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-,47-,51-,52+,53+,54+/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O[C@@H]3O[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]6O[C@H](CO)[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@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[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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