input word = C00057930

Metabolite InformationStructural formula
Name Solidagosaponin XXVII
Formula C65H106O32
Mw 1398.66672129
CAS RN 156250-54-3
C_ID C00057930
InChIKey TWVKTIKJMWXSES-UHFFFAOYSA-N
InChICode InChI=1S/C65H106O32/c1-23-35(72)38(75)43(80)54(87-23)93-49-29(70)21-86-53(47(49)84)92-48-25(3)89-55(45(82)41(48)78)95-51-40(77)36(73)24(2)88-58(51)97-59(85)65-15-14-60(4,5)16-27(65)26-10-11-33-61(6)17-28(69)52(62(7,22-68)32(61)12-13-63(33,8)64(26,9)18-34(65)71)96-57-46(83)42(79)50(31(20-67)91-57)94-56-44(81)39(76)37(74)30(19-66)90-56/h10,23-25,27-58,66-84H,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(OC%10OC(CO)C(O)C(O)C%10O)C(O)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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