input word = C00057887

Metabolite InformationStructural formula
Name Solidagosaponin XV
Formula C61H98O28
Mw 1278.62446255
CAS RN 142846-88-6
C_ID C00057887
InChIKey QHDAYIULXZEOQH-UHFFFAOYSA-N
InChICode InChI=1S/C61H98O28/c1-23-35(68)37(70)40(73)51(80-23)86-47-30(66)21-79-50(44(47)77)85-45-24(2)81-52(42(75)39(45)72)87-48-43(76)46(83-26(4)64)25(3)82-54(48)89-55(78)61-16-15-56(5,6)17-28(61)27-11-12-33-57(7)18-29(65)49(88-53-41(74)38(71)36(69)31(20-62)84-53)58(8,22-63)32(57)13-14-59(33,9)60(27,10)19-34(61)67/h11,23-25,28-54,62-63,65-77H,12-22H2,1-10H3
SMILES CC(=O)OC1C(C)OC(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)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.
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