input word = C00012387

Metabolite InformationStructural formula
Name [3aR-(3aR*,5Z,9E,11aS*)]-6-[(Acetyloxy)methyl]-3a,4,7,8,11,11a-hexahydro-10-methyl-3-methylenecyclodeca[b]furan-2(3H)-one
Formula C17H22O4
Mw 290.15180919
CAS RN 126621-23-6
C_ID C00012387 ,
InChIKey RGWSUHWHAXTWLZ-PDSBGGJMNA-N
InChICode InChI=1S/C17H22O4/c1-11-5-4-6-14(10-20-13(3)18)7-8-15-12(2)17(19)21-16(15)9-11/h5,7,15-16H,2,4,6,8-10H2,1,3H3/b11-5+,14-7-/t15-,16+/m1/s1
SMILES C=C1C(=O)O[C@H]2C/C(C)=C/CC/C(COC(C)=O)=C/C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArctotis aspera Ref.
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