Mrv1652304282205452D 25 26 0 0 1 0 999 V2000 3.4015 -2.6944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -3.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7384 -3.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 -4.1045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8189 -4.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5276 -5.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1558 -4.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6929 -1.9226 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1701 -1.2843 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4614 -0.5125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2755 -0.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 0.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3809 0.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9037 -0.1115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6124 -0.8834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7983 -1.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5070 -1.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7178 0.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8173 0.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3561 -0.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3460 -1.2458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8304 -1.8899 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 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 4 7 1 0 0 0 0 8 1 1 6 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 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 8 17 1 0 0 0 0 16 18 1 0 0 0 0 14 19 1 1 0 0 0 12 20 1 0 0 0 0 10 21 1 6 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 9 24 1 6 0 0 0 24 25 2 0 0 0 0 M END > NP0058393 > NP-MRD > C\C=C(/C)C(=O)O[C@H]1C\C(C)=C\[C@H](O)C\C(C)=C\[C@H]2OC(=O)C(=C)[C@@H]12 > InChI=1S/C20H26O5/c1-6-13(4)19(22)24-16-9-11(2)7-15(21)8-12(3)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-10+,13-6+/t15-,16-,17+,18-/m0/s1 > ZYKRXWIPMUJNME-WEJMFQOPSA-N > C20H26O5 > 346.423 > 346.178023937 > 3 > 51 > 37.008377196769445 > 1 > 1 > 0 > 1 > (3aS,4S,8R,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate > 1.80 > 3.4531310143333336 > -3.53 > 0 > 2 > 0 > 18.22771319880083 > -1.3869953661470165 > 72.83000000000001 > 96.86239999999998 > 3 > 1 > 1.01e-01 g/l > (3aS,4S,8R,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-4-yl (2E)-2-methylbut-2-enoate > 0 > NP0058393 > Mollisorin A $$$$