input word = C00060001

Metabolite InformationStructural formula
Name Ilexoside XXVI
Formula C48H78O19
Mw 958.51373031
CAS RN 147235-20-9
C_ID C00060001
InChIKey XEAPUXQSMDULOJ-UHFFFAOYSA-N
InChICode InChI=1S/C48H78O19/c1-21-9-14-48(43(61)67-42-39(60)35(56)32(53)25(18-50)64-42)16-15-46(5)23(30(48)22(21)2)7-8-28-44(3)12-11-29(45(4,20-51)27(44)10-13-47(28,46)6)66-41-38(59)36(57)33(54)26(65-41)19-62-40-37(58)34(55)31(52)24(17-49)63-40/h7,21-22,24-42,49-60H,8-20H2,1-6H3
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(COC7OC(CO)C(O)C(O)C7O)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