input word = C00057866

Metabolite InformationStructural formula
Name Solidagosaponin I
Formula C41H66O15
Mw 798.44017144
CAS RN 139035-18-0
C_ID C00057866
InChIKey DEOSQVDHGOLSOM-UHFFFAOYSA-N
InChICode InChI=1S/C41H66O15/c1-36(2)11-12-41(35(51)52)20(13-36)19-7-8-25-37(3)14-21(44)32(50)38(4,18-43)24(37)9-10-39(25,5)40(19,6)15-26(41)55-34-31(29(48)28(47)23(16-42)54-34)56-33-30(49)27(46)22(45)17-53-33/h7,20-34,42-50H,8-18H2,1-6H3,(H,51,52)
SMILES OC1C(O)C(C)(CO)C(CCC2(C)C3CC=C4C2(C)CC(OC5OC(CO)C(O)C(O)C5OC6OCC(O)C(O)C6O)C7(C(O)=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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