input word = C00057934

Metabolite InformationStructural formula
Name Solidagosaponin XXV
Formula C64H104O31
Mw 1368.65615661
CAS RN 156280-07-8
C_ID C00057934
InChIKey AJCOXJAAVRILLZ-UHFFFAOYSA-N
InChICode InChI=1S/C64H104O31/c1-23-35(71)39(75)43(79)54(86-23)91-48-30(69)21-85-53(45(48)81)90-47-25(3)88-55(44(80)41(47)77)93-50-40(76)36(72)24(2)87-57(50)95-58(83)64-15-14-59(4,5)16-27(64)26-10-11-33-60(6)17-28(67)51(61(7,22-66)32(60)12-13-62(33,8)63(26,9)18-34(64)70)94-56-46(82)49(38(74)31(19-65)89-56)92-52-42(78)37(73)29(68)20-84-52/h10,23-25,27-57,65-82H,11-22H2,1-9H3
SMILES CC1OC(OC2C(O)COC(OC3C(C)OC(OC4C(OC(=O)C56CCC(C)(C)CC5C5=CCC7C8(C)CC(O)C(OC9OC(CO)C(O)C(OC%10OCC(O)C(O)C%10O)C9O)C(C)(CO)C8CCC7(C)C5(C)CC6O)OC(C)C(O)C4O)C(O)C3O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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