input word = C00057889

Metabolite InformationStructural formula
Name Solidagosaponin XVII
Formula C65H104O30
Mw 1364.66124199
CAS RN 142846-90-0
C_ID C00057889
InChIKey AQMYEPXRNKOFMR-UHFFFAOYSA-N
InChICode InChI=1S/C65H104O30/c1-25(85-29(5)68)18-38(72)90-50-28(4)88-58(52(47(50)81)93-56-46(80)43(77)49(27(3)87-56)91-54-48(82)51(33(70)23-84-54)92-55-44(78)41(75)39(73)26(2)86-55)95-59(83)65-17-16-60(6,7)19-31(65)30-12-13-36-61(8)20-32(69)53(94-57-45(79)42(76)40(74)34(22-66)89-57)62(9,24-67)35(61)14-15-63(36,10)64(30,11)21-37(65)71/h12,25-28,31-37,39-58,66-67,69-71,73-82H,13-24H2,1-11H3
SMILES 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(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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