input word = C00057873

Metabolite InformationStructural formula
Name Solidagosaponin VIII
Formula C50H80O21
Mw 1016.51920962
CAS RN 139035-25-9
C_ID C00057873
InChIKey RNQBPTWEXPLWQG-UHFFFAOYSA-N
InChICode InChI=1S/C50H80O21/c1-22(53)14-32(56)67-28-20-66-41(38(62)35(28)59)70-39-36(60)34(58)27(18-51)68-43(39)69-31-17-49(7)23(8-9-30-46(4)16-25(54)40(63)47(5,21-52)29(46)10-11-48(30,49)6)24-15-45(2,3)12-13-50(24,31)44(64)71-42-37(61)33(57)26(55)19-65-42/h8,22,24-31,33-43,51-55,57-63H,9-21H2,1-7H3
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)CO8)=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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