Mrv1652309042208082D 18 20 0 0 1 0 999 V2000 4.6197 2.4355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0027 1.7048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4440 2.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2683 2.3681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6513 1.6374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2100 0.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 0.9740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9443 0.2770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6177 -0.2559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3484 0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0877 -0.2390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5434 -0.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6818 -1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8041 0.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 0.9030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7370 1.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 1.7385 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 3 4 1 4 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 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 2 0 0 0 0 8 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 12 17 2 0 0 0 0 17 18 1 0 0 0 0 2 18 1 0 0 0 0 M END > NP0189631 > NP-MRD > CC1=COC2=C1[C@@H]1OC(=O)C(CCC=C(C)C2)=C1 > InChI=1S/C15H16O3/c1-9-4-3-5-11-7-13(18-15(11)16)14-10(2)8-17-12(14)6-9/h4,7-8,13H,3,5-6H2,1-2H3/t13-/m1/s1 > LWCKQMHMTSRRAA-CYBMUJFWSA-N > C15H16O3 > 244.29 > 244.109944375 > 1 > 34 > 25.76261595938849 > 1 > 0 > 0 > 1 > (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0^{2,6}]pentadeca-2(6),3,8,12(15)-tetraen-13-one > 3.3990079353333327 > 0 > 3 > 0 > 11.782650916673122 > -2.817632569299735 > 39.44 > 69.914 > 0 > 1 > (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0^{2,6}]pentadeca-2(6),3,8,12(15)-tetraen-13-one > 1 > NP0189631 > (1r)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2(6),3,8,12(15)-tetraen-13-one $$$$