input word = C00057869

Metabolite InformationStructural formula
Name Solidagosaponin IV
Formula C51H82O21
Mw 1030.53485968
CAS RN 139035-21-5
C_ID C00057869
InChIKey FLYSSUGVOOSJSZ-UHFFFAOYSA-N
InChICode InChI=1S/C51H82O21/c1-22(54)15-32(56)68-28-20-66-42(38(62)35(28)59)71-40-37(61)34(58)27(19-52)69-44(40)70-31-18-50(8)24(9-10-30-47(5)17-26(55)41(64)48(6,21-53)29(47)11-12-49(30,50)7)25-16-46(3,4)13-14-51(25,31)45(65)72-43-39(63)36(60)33(57)23(2)67-43/h9,22-23,25-31,33-44,52-55,57-64H,10-21H2,1-8H3
SMILES OC1C(O)C(C)(CO)C(CCC2(C)C3CC=C4C2(C)CC(OC5OC(CO)C(O)C(O)C5OC6OCC(OC(CC(O)C)=O)C(O)C6O)C7(C(OC8C(O)C(O)C(O)C(C)O8)=O)C4CC(C)(C)CC7)C3(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSolidago virga-aurea Ref.
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