Mrv1652309032213472D 24 26 0 0 1 0 999 V2000 0.8897 -1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3621 -0.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0125 -0.1627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2024 -0.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1008 0.8124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5756 1.2847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5047 2.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2426 2.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3495 3.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1114 3.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2184 4.4088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9803 4.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 5.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6353 4.2235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 1.9858 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2996 2.6453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 2.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 2.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4414 3.0217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 1.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9218 0.9100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2305 0.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4115 0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 1.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 6 0 0 0 3 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 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 8 15 1 0 0 0 0 15 16 1 6 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 3 23 1 0 0 0 0 24 23 1 1 0 0 0 15 24 1 0 0 0 0 5 24 1 0 0 0 0 M END > NP0174522 > NP-MRD > CO[C@@H]1O[C@H]2OCC(CCC=C(C)C)[C@@H]3CC\C(C)=C/C\C=C1/[C@@H]23 > InChI=1S/C21H32O3/c1-14(2)7-5-9-16-13-23-21-19-17(16)12-11-15(3)8-6-10-18(19)20(22-4)24-21/h7-8,10,16-17,19-21H,5-6,9,11-13H2,1-4H3/b15-8-,18-10+/t16?,17-,19-,20+,21+/m0/s1 > KAYSVGOCNJQKMY-HUDBTZBKSA-N > C21H32O3 > 332.484 > 332.23514489 > 3 > 56 > 39.30957290274567 > 1 > 0 > 0 > 1 > (1E,2R,4R,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-diene > 4.07 > 4.854851546 > -4.63 > 0 > 3 > 0 > -3.907853355716315 > 27.69 > 99.5797 > 4 > 1 > 7.75e-03 g/l > (1E,2R,4R,8S,11E,15S)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0^{4,15}]pentadeca-1(14),11-diene > 1 > NP0174522 > (1e,2r,4r,8s,11e,15s)-2-methoxy-11-methyl-7-(4-methylpent-3-en-1-yl)-3,5-dioxatricyclo[6.6.1.0⁴,¹⁵]pentadeca-1(14),11-diene $$$$