input word = C00012372

Metabolite InformationStructural formula
Name Ineupatolide
Formula C25H36O9
Mw 480.23593275
CAS RN 75102-66-8
C_ID C00012372 ,
InChIKey LYSXXZROYWKWEQ-UHFFFAOYNA-N
InChICode InChI=1S/C25H36O9/c1-8-12(3)21(26)32-19-17-15(6)23(28)31-18(17)20(33-22(27)13(4)9-2)24(7,29)11-16-10-14(5)25(19,30)34-16/h8,13-14,16-20,29-30H,6,9-11H2,1-5,7H3/b12-8+/t13-,14+,16+,17-,18-,19+,20+,24-,25-/m1/s1
SMILES C=C1C(=O)OC2C1C(OC(=O)C(C)=CC)C1(O)OC(CC1C)CC(C)(O)C2OC(=O)C(C)CC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeInula eupatorioides Ref.
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OrganismInula eupatorioides
ReferenceBaruah,J.Org.Chem.,47,(1982),137

Maruyama,Phytochem.,29,(1990),547