Mrv1533004151514172D 18 20 0 0 0 0 999 V2000 2.2089 -2.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8189 -1.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9943 -1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6043 -0.7992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 -0.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8636 -0.1238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2982 0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 1.3045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5127 -0.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3140 -0.3719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 -1.1947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 -1.5066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0007 -2.2336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9285 -1.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -0.8765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2535 -0.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6435 -1.5778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 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 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 0 0 0 0 2 17 1 0 0 0 0 6 17 1 0 0 0 0 17 18 1 0 0 0 0 M END > NP0137292 > NP-MRD > CC1CCC=C2C(=O)CC3OOC(C)(C)C3C12C > InChI=1S/C15H22O3/c1-9-6-5-7-10-11(16)8-12-13(15(9,10)4)14(2,3)18-17-12/h7,9,12-13H,5-6,8H2,1-4H3 > KXGHHSIMRWPVQM-UHFFFAOYSA-N > C15H22O3 > 250.338 > 250.156894568 > 3 > 40 > 27.06609002226297 > 1 > 0 > 0 > 1 > 1,1,9,9a-tetramethyl-1H,3aH,4H,5H,7H,8H,9H,9aH,9bH-naphtho[2,1-c][1,2]dioxol-5-one > 3.72 > 2.963129714999999 > -3.05 > 0 > 3 > 0 > 17.848800894296556 > -4.6449639786849 > 35.53 > 69.1151 > 0 > 1 > 2.21e-01 g/l > 1,1,9,9a-tetramethyl-3aH,4H,7H,8H,9H,9bH-naphtho[2,1-c][1,2]dioxol-5-one > 1 > NP0137292 > Nardosinone $$$$