Mrv1652309072210582D 21 22 0 0 0 0 999 V2000 4.8581 1.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5212 1.6694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7527 0.2594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2755 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6722 1.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 -0.1115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6124 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -2.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1701 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 0.0031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8558 0.8272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4614 -0.5125 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 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 5 21 1 0 0 0 0 15 21 1 0 0 0 0 M END > NP0247217 > NP-MRD > CC1C2C(CC(C)=CCCC(C)=CC2OC(C)=O)OC1=O > InChI=1S/C17H24O4/c1-10-6-5-7-11(2)9-15-16(12(3)17(19)21-15)14(8-10)20-13(4)18/h7-8,12,14-16H,5-6,9H2,1-4H3 > BQTKIVGFINJWOC-UHFFFAOYSA-N > C17H24O4 > 292.375 > 292.167459253 > 2 > 45 > 31.554316043471168 > 1 > 0 > 0 > 1 > 3,6,10-trimethyl-2-oxo-2H,3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate > 2.7704755526666665 > 0 > 2 > 0 > -6.746734510111569 > 52.6 > 80.8652 > 2 > 1 > 3,6,10-trimethyl-2-oxo-3H,3aH,4H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl acetate > 0 > NP0247217 > 3,6,10-trimethyl-2-oxo-3h,3ah,4h,7h,8h,11h,11ah-cyclodeca[b]furan-4-yl acetate $$$$