input word = C00057929

Metabolite InformationStructural formula
Name Solidagosaponin XXVI
Formula C77H124O38
Mw 1656.7770596
CAS RN 156250-53-2
C_ID C00057929
InChIKey ZGNBQNZPKMUJDW-UHFFFAOYSA-N
InChICode InChI=1S/C77H124O38/c1-29(81)19-44(85)102-30(2)20-45(86)103-31(3)21-46(87)109-60-34(6)106-70(63(56(60)97)113-67-55(96)52(93)59(33(5)105-67)110-65-57(98)61(38(83)27-101-65)111-66-53(94)50(91)47(88)32(4)104-66)115-71(100)77-18-17-72(7,8)22-36(77)35-13-14-42-73(9)23-37(82)64(74(10,28-80)41(73)15-16-75(42,11)76(35,12)24-43(77)84)114-69-58(99)62(49(90)40(26-79)108-69)112-68-54(95)51(92)48(89)39(25-78)107-68/h13,29-34,36-43,47-70,78-84,88-99H,14-28H2,1-12H3
SMILES CC(O)CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(OC4OC(C)C(O)C(O)C4O)C3O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
zoom in