input word = C00057893

Metabolite InformationStructural formula
Name Solidagosaponin XIX
Formula C67H106O30
Mw 1390.67689205
CAS RN 142872-62-6
C_ID C00057893
InChIKey GMNSGHBNIHMVEM-OUKQBFOZSA-N
InChICode InChI=1S/C67H106O30/c1-12-13-39(73)87-27(2)20-40(74)92-52-30(5)90-60(54(49(52)83)95-58-48(82)45(79)51(29(4)89-58)93-56-50(84)53(34(71)25-86-56)94-57-46(80)43(77)41(75)28(3)88-57)97-61(85)67-19-18-62(6,7)21-32(67)31-14-15-37-63(8)22-33(70)55(96-59-47(81)44(78)42(76)35(24-68)91-59)64(9,26-69)36(63)16-17-65(37,10)66(31,11)23-38(67)72/h12-14,27-30,32-38,41-60,68-72,75-84H,15-26H2,1-11H3/b13-12+
SMILES C/C=C/C(=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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