input word = C00060000

Metabolite InformationStructural formula
Name Ilexoside XXV
Formula C42H68O14
Mw 796.46090688
CAS RN 147235-19-6
C_ID C00060000
InChIKey SWKYEFPSCPKIGA-UHFFFAOYSA-N
InChICode InChI=1S/C42H68O14/c1-20-9-14-42(37(52)56-36-34(51)32(49)30(47)24(18-44)54-36)16-15-40(5)22(28(42)21(20)2)7-8-26-38(3)12-11-27(39(4,19-45)25(38)10-13-41(26,40)6)55-35-33(50)31(48)29(46)23(17-43)53-35/h7,20-21,23-36,43-51H,8-19H2,1-6H3
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAquifoliaceaeIlex integra Ref.
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OrganismIlex integra
Referencehttps://doi.org/10.1016/S0031-9422(00)95006-4