input word = C00057884

Metabolite InformationStructural formula
Name Solidagosaponin XI
Formula C60H94O28
Mw 1262.59316242
CAS RN 142846-85-3
C_ID C00057884
InChIKey CVQCIIUKRPNXGJ-UHFFFAOYSA-N
InChICode InChI=1S/C60H94O28/c1-25(64)16-38(68)82-33-22-78-50(45(75)41(33)71)86-48-44(74)40(70)32(21-62)84-53(48)85-37-19-59(9)28(29-17-55(4,5)14-15-60(29,37)54(77)88-52-47(81-27(3)66)42(72)34(23-79-52)80-26(2)65)10-11-36-56(6)18-30(67)49(57(7,24-63)35(56)12-13-58(36,59)8)87-51-46(76)43(73)39(69)31(20-61)83-51/h10,25,29-37,39-53,61-64,67,69-76H,11-24H2,1-9H3
SMILES CC(=O)OC1COC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3OC2OC(CO)C(O)C(O)C2OC2OCC(OC(=O)CC(C)O)C(O)C2O)C(OC(C)=O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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