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 1 0 0 0 0 0 0 0 0 0 3.9321 1.0536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5196 0.3391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6946 0.3391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2821 1.0536 0.0000 C 0 0 1 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 2 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 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 2.6658 2.5926 0.0000 C 0 0 1 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 1 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 1 0 0 0 4 12 1 1 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 1 0 0 0 2 17 1 6 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 1 6 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 6 0 0 0 24 25 1 1 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 > NP0058614 > NP-MRD > CC[C@@H](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/C20H24O7/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/h8,11-16H,3-4,6-7H2,1-2,5H3/t8-,11+,12+,13-,14-,15+,16-,20+/m1/s1 > QGBASGVGUOKQDF-FDJAEJKBSA-N > C20H24O7 > 376.405 > 376.152203113 > 4 > 51 > 37.8265546583152 > 1 > 0 > 0 > 1 > (1S,2S,6R,7R,8S,9S)-7-methyl-5,12-dimethylidene-7-[(2R)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2R)-2-methylbutanoate > 1.94 > 2.660239074 > -2.77 > 0 > 4 > 0 > -4.181239589252348 > 91.43 > 91.50580000000001 > 5 > 1 > 6.34e-01 g/l > (1S,2S,6R,7R,8S,9S)-7-methyl-5,12-dimethylidene-7-[(2R)-oxiran-2-yl]-4,11-dioxo-3,10-dioxatricyclo[7.3.0.0^{2,6}]dodecan-8-yl (2R)-2-methylbutanoate > 0 > NP0058614 > Zinaflavin D $$$$