input word = C00012252

Metabolite InformationStructural formula
Name [9S-(9R*,10E,11aS*)]-9-(acetyloxy)-5,6,9,11a-tetrahydro-3-(hydroxymethyl)-10-methyl-6-methylenecyclodeca[b]furan-2,7(4H,8H)-dione
Formula C17H20O6
Mw 320.12598837
CAS RN 126025-03-4
C_ID C00012252 ,
InChIKey BPBLQZHCVCIWBH-DGNKSLEDNA-N
InChICode InChI=1S/C17H20O6/c1-9-4-5-12-13(8-18)17(21)23-16(12)6-10(2)15(7-14(9)20)22-11(3)19/h6,15-16,18H,1,4-5,7-8H2,2-3H3/b10-6+/t15-,16+/m0/s1
SMILES C1(=C)CCC2=C(C(=O)O[C@@H]2/C=C(/[C@H](CC1=O)OC(=O)C)\C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAchillea fragrantissima Ref.
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