input word = C00058371

Metabolite InformationStructural formula
Name Araliasaponin XV
Formula C59H96O27
Mw 1236.61389786
CAS RN 178603-40-2
C_ID C00058371
InChIKey HFAFUQDVEDOOAY-UHFFFAOYSA-N
InChICode InChI=1S/C57H92O27/c1-54(2)15-25-24(26(16-54)48(74)84-52-45(73)41(69)37(65)32(81-52)21-76-49-43(71)39(67)35(63)29(17-58)78-49)10-13-56(4)27(25)6-7-33-55(3)11-9-23(14-22(55)8-12-57(33,56)5)77-53-47(83-50-42(70)34(62)28(61)20-75-50)46(38(66)31(19-60)80-53)82-51-44(72)40(68)36(64)30(18-59)79-51/h6,22-26,28-47,49-53,58-73H,7-21H2,1-5H3
SMILES CC1(C)CC(C(=O)OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)CC5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia chinensis Ref.
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