input word = C00032715

Metabolite InformationStructural formula
Name Araliasaponin III (Aralia elata)
(-)-Araliasaponin III (Aralia elata)
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 C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(C[C@H]2O)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)CO)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
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