Mrv1652309052213312D 19 21 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 2.0733 -0.2963 0.0000 O 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 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 12 18 1 0 0 0 0 18 19 2 0 0 0 0 19 2 1 4 0 0 0 M END > NP0212753 > NP-MRD > CC1=C2[C@@H]3OC(=O)C(CCC=C(C)C=C2OC1=O)=C3 > InChI=1S/C15H14O4/c1-8-4-3-5-10-7-12(19-15(10)17)13-9(2)14(16)18-11(13)6-8/h4,6-7,12H,3,5H2,1-2H3/t12-/m1/s1 > ALHPETDJKFISPE-GFCCVEGCSA-N > C15H14O4 > 258.273 > 258.089208931 > 2 > 33 > 26.001756324621727 > 1 > 0 > 0 > 1 > (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0^{2,6}]pentadeca-2,6,8,12(15)-tetraene-4,13-dione > 2.318958268666666 > 0 > 3 > 0 > 11.802020116847643 > -6.653424575808413 > 52.60000000000001 > 71.90920000000001 > 0 > 1 > (1R)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0^{2,6}]pentadeca-2,6,8,12(15)-tetraene-4,13-dione > 0 > NP0212753 > (1r)-3,8-dimethyl-5,14-dioxatricyclo[10.2.1.0²,⁶]pentadeca-2,6,8,12(15)-tetraene-4,13-dione $$$$