input word = C00013043

Metabolite InformationStructural formula
Name [3aS-(3aalpha,5abeta,7alpha,9balpha)]-7-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-5a,9-dimethyl-3-methylenenaphtho[1,2-b]furan-2(3H)-one
2alpha-Acetoxysphaerantholide
Formula C17H22O4
Mw 290.15180919
CAS RN 128988-25-0
C_ID C00013043 ,
InChIKey DNUVCKQEOUHKDL-CPLQUYTQNA-N
InChICode InChI=1S/C17H22O4/c1-9-7-12(20-11(3)18)8-17(4)6-5-13-10(2)16(19)21-15(13)14(9)17/h12-13,15H,2,5-8H2,1,3-4H3/t12-,13-,15+,17-/m0/s1
SMILES C=C1C(=O)O[C@H]2C3=C(C)C[C@H](OC(C)=O)C[C@]3(C)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeSphaeranthus suaveolens Ref.
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