input word = C00012253

Metabolite InformationStructural formula
Name [9S-(9R*,10E,11aS*)]-9-(Acetyloxy)-3-[(acetyloxy)methyl]-5,6,9,11a-tetrahydro-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione
Oxoafraglaucolide
Formula C19H22O7
Mw 362.13655306
CAS RN 115367-46-9
C_ID C00012253 ,
InChIKey QSFGHNPWWLRLLB-XLZQZMCPNA-N
InChICode InChI=1S/C19H22O7/c1-10-5-6-14-15(9-24-12(3)20)19(23)26-18(14)7-11(2)17(8-16(10)22)25-13(4)21/h7,17-18H,1,5-6,8-9H2,2-4H3/b11-7+/t17-,18+/m0/s1
SMILES C=C1CCC2=C(COC(C)=O)C(=O)O[C@@H]2/C=C(C)C(OC(C)=O)CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea fragrantissima Ref.
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OrganismAchillea fragrantissima
ReferenceKhafagy,Phytochem.,27,(1988),1125

Jakupovic,Phytochem.,27,(1988),1129

Abdel-Mogib,Phytochem.,28,(1989),3528