Mrv1652304282206142D 26 27 0 0 1 0 999 V2000 -2.1434 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4289 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1434 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5223 -0.8963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9719 -3.6945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1514 -3.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7389 -4.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8158 -3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0089 -2.8555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.8250 0.0000 O 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 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 1 10 1 0 0 0 0 7 11 1 0 0 0 0 6 12 1 6 0 0 0 5 13 1 6 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 4 16 1 6 0 0 0 16 17 2 0 0 0 0 3 18 1 1 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 1 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 1 0 0 0 25 26 1 0 0 0 0 M END > NP0058940 > NP-MRD > CC[C@H](C)C(=O)O[C@@H]1C[C@H](CO)CC\C=C(C)\[C@@H](O)[C@H]2OC(=O)C(=C)[C@@H]12 > InChI=1S/C20H30O6/c1-5-11(2)19(23)25-15-9-14(10-21)8-6-7-12(3)17(22)18-16(15)13(4)20(24)26-18/h7,11,14-18,21-22H,4-6,8-10H2,1-3H3/b12-7+/t11-,14+,15+,16-,17+,18-/m0/s1 > GVSRLFWWDZXDPH-CEDZERMKSA-N > C20H30O6 > 366.454 > 366.204238686 > 4 > 56 > 38.86525221638128 > 1 > 2 > 0 > 1 > (3aS,4R,6R,11R,11aS)-11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-2H,3H,3aH,4H,5H,6H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl (2S)-2-methylbutanoate > 2.09 > 2.5721720349999995 > -2.68 > 0 > 2 > 0 > 15.472114712497902 > 13.571408234749377 > -2.5947309292378486 > 93.06000000000002 > 96.83419999999998 > 5 > 1 > 7.65e-01 g/l > (3aS,4R,6R,11R,11aS)-11-hydroxy-6-(hydroxymethyl)-10-methyl-3-methylidene-2-oxo-3aH,4H,5H,6H,7H,8H,11H,11aH-cyclodeca[b]furan-4-yl (2S)-2-methylbutanoate > 0 > NP0058940 > Zinangustolide $$$$