Mrv1533004231518362D 21 22 0 0 0 0 999 V2000 4.7609 0.1947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9468 0.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6555 -0.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4240 0.6993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6099 0.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0871 1.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7958 0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9817 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4589 0.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7502 1.7084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 1.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8556 2.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6697 2.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 2.1093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9012 1.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3328 3.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1061 2.2240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5832 1.7707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3551 2.0620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3652 0.9751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8808 0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 4 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 4 0 0 0 14 15 1 0 0 0 0 6 15 1 0 0 0 0 12 16 1 0 0 0 0 10 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 9 20 1 0 0 0 0 20 21 2 0 0 0 0 M END > NP0249621 > NP-MRD > CC(=O)OCC1=CCC2C(CC(C)=CCC1)OC(=O)C2=C > 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 > RGWSUHWHAXTWLZ-UHFFFAOYSA-N > C17H22O4 > 290.359 > 290.151809188 > 2 > 43 > 31.4522787168385 > 1 > 0 > 0 > 1 > {10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-6-yl}methyl acetate > 3.27 > 2.8206134403333345 > -3.66 > 0 > 2 > 0 > -6.628941631262937 > 52.6 > 81.02659999999999 > 3 > 1 > 6.39e-02 g/l > {10-methyl-3-methylidene-2-oxo-3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-6-yl}methyl acetate > 0 > NP0249621 > {10-methyl-3-methylidene-2-oxo-3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-6-yl}methyl acetate $$$$