Mrv1652304292206242D 33 34 0 0 1 0 999 V2000 0.5299 -0.7031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0095 -0.0629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 0.7620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5625 1.3857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3771 1.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 2.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0850 1.0926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0608 -0.4577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3400 -0.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4706 -1.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 2.1652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5177 2.3211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7878 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 0.2943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1380 0.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 -0.1734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4080 -0.9530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9481 -1.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5979 -1.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4882 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8384 -0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7583 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0578 -0.4853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 -0.6412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2924 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0224 -1.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 2.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5625 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2477 3.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1025 4.1920 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 6 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 1 10 1 0 0 0 0 10 11 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 3 15 1 6 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 18 22 1 1 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 16 26 1 6 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 12 30 1 1 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 M END > NP0083357 > NP-MRD > CC(=O)O[C@@H](C[C@@H](OC(C)=O)C1=CO[C@@H](OC(C)=O)[C@H]2[C@@H]1CC\C(C)=C/CCC2=C)C(C)=C > InChI=1S/C26H36O7/c1-15(2)23(31-18(5)27)13-24(32-19(6)28)22-14-30-26(33-20(7)29)25-17(4)10-8-9-16(3)11-12-21(22)25/h9,14,21,23-26H,1,4,8,10-13H2,2-3,5-7H3/b16-9-/t21-,23+,24-,25-,26+/m1/s1 > YHVXAZWWUIIDJA-UYKGGFQKSA-N > C26H36O7 > 460.567 > 460.246103499 > 4 > 69 > 49.895589445995974 > 1 > 0 > 0 > 1 > (1R,3S)-1-[(1S,4aS,11aS)-1-(acetyloxy)-7-methyl-11-methylidene-1H,4aH,5H,6H,9H,10H,11H,11aH-cyclonona[c]pyran-4-yl]-3-(acetyloxy)-4-methylpent-4-en-1-yl acetate > 4.23 > 3.490211490333332 > -5.04 > 0 > 2 > 0 > -4.887329271456891 > 88.13 > 123.73439999999997 > 10 > 1 > 4.18e-03 g/l > (1R,3S)-1-[(1S,4aS,11aS)-1-(acetyloxy)-7-methyl-11-methylidene-1H,4aH,5H,6H,9H,10H,11aH-cyclonona[c]pyran-4-yl]-3-(acetyloxy)-4-methylpent-4-en-1-yl acetate > 0 > NP0083357 > Zahavin A $$$$