Mrv1652304282205572D 27 30 0 0 1 0 999 V2000 2.6946 1.7681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5196 1.7681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9321 1.0536 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5196 0.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6946 0.3391 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2821 1.0536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4752 0.8821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8621 1.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3889 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 -0.2740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0717 -0.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 0.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5398 -0.3509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7391 0.8821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 2.4826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 2.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 1.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1696 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9946 3.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4071 3.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 3.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6658 2.5926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2287 3.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0532 3.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.2053 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 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 6 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 5 11 1 6 0 0 0 4 12 1 6 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 3 16 1 6 0 0 0 2 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 20 23 1 0 0 0 0 1 24 1 6 0 0 0 24 25 1 6 0 0 0 25 26 1 0 0 0 0 24 26 1 0 0 0 0 1 27 1 1 0 0 0 M END > NP0058615 > NP-MRD > C\C=C(/C)C(=O)O[C@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]2[C@]1(C)[C@H]1CO1 > InChI=1S/C20H22O7/c1-6-8(2)17(21)27-16-15-12(9(3)18(22)26-15)14-13(10(4)19(23)25-14)20(16,5)11-7-24-11/h6,11-16H,3-4,7H2,1-2,5H3/b8-6+/t11-,12-,13+,14+,15-,16+,20+/m1/s1 > PKSTXAIOYAGNNT-XFZCEMEQSA-N > C20H22O7 > 374.389 > 374.136553048 > 4 > 49 > 36.449852249148186 > 1 > 0 > 0 > 1 > (1R,2R,6S,7R,8R,9R)-7-methyl-5,12-dimethylidene-7-[(2S)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2E)-2-methylbut-2-enoate > 1.71 > 2.7439601079999996 > -2.81 > 0 > 4 > 0 > -4.180865078767499 > 91.43 > 92.38170000000001 > 4 > 1 > 5.74e-01 g/l > (1R,2R,6S,7R,8R,9R)-7-methyl-5,12-dimethylidene-7-[(2S)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2E)-2-methylbut-2-enoate > 0 > NP0058615 > Zinaflavin E $$$$