Mrv1652309022210492D 27 27 0 0 1 0 999 V2000 1.1012 3.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 3.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5302 3.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2435 3.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9591 3.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6725 3.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 3.5151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 2.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8123 2.2873 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6162 2.1015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9721 1.3573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6157 0.8411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3600 1.1971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 0.0161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 -0.7262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 -1.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8023 -1.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8000 -2.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9985 -1.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3548 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 0.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8238 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0075 2.1059 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6516 2.8502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 2.9141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 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 6 8 1 0 0 0 0 9 2 1 1 0 0 0 9 10 1 0 0 0 0 10 11 1 0 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 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 9 25 1 0 0 0 0 25 26 1 6 0 0 0 26 27 1 0 0 0 0 M END > NP0152367 > NP-MRD > CO[C@H]1C\C(C)=C\CC\C(C)=C/CC\C(C)=C\C[C@@H]1C(=C)CCC=C(C)C > InChI=1S/C26H42O/c1-20(2)11-8-16-24(6)25-18-17-22(4)14-9-12-21(3)13-10-15-23(5)19-26(25)27-7/h11-12,15,17,25-26H,6,8-10,13-14,16,18-19H2,1-5,7H3/b21-12-,22-17+,23-15+/t25-,26+/m1/s1 > FGDIMNAMJBFDNJ-RTYMIUGPSA-N > C26H42O > 370.621 > 370.323565972 > 1 > 69 > 46.91640513893725 > 1 > 0 > 0 > 0 > (1E,5Z,9E,12R,13S)-13-methoxy-1,5,9-trimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,9-triene > 7.13 > 7.5333171833333346 > -5.44 > 0 > 1 > 0 > -4.129099883783393 > 9.23 > 124.23179999999999 > 5 > 0 > 1.34e-03 g/l > (1E,5Z,9E,12R,13S)-13-methoxy-1,5,9-trimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,9-triene > 1 > NP0152367 > (1e,5z,9e,12r,13s)-13-methoxy-1,5,9-trimethyl-12-(6-methylhepta-1,5-dien-2-yl)cyclotetradeca-1,5,9-triene $$$$