input word = C00012192

Metabolite InformationStructural formula
Name [3aR-[3aR*,4R*(E),6E,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-[(acetyloxy)methyl]-2-butenoic acid
Formula C22H28O6
Mw 388.18858863
CAS RN 70550-01-5
C_ID C00012192 ,
InChIKey XSSVQBRBIVEDFV-TZBHZWFINA-N
InChICode InChI=1S/C22H28O6/c1-6-17(12-26-16(5)23)22(25)28-19-11-14(3)9-7-8-13(2)10-18-20(19)15(4)21(24)27-18/h6,9-10,18-20H,4,7-8,11-12H2,1-3,5H3/b13-10+,14-9+,17-6+/t18-,19+,20-/m0/s1
SMILES C\1(=C/CC/C(=C/[C@H]2[C@@H]([C@@H](C1)OC(=O)/C(=C/C)/COC(=O)C)C(=C)C(=O)O2)/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium serotinum Ref.
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