Mrv1652304292201272D 42 45 0 0 1 0 999 V2000 5.6096 0.1262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8770 -0.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8394 -1.0774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5343 -1.5221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2669 -1.1426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3045 -0.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9618 -1.5872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6943 -1.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7319 -0.3836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3893 -1.6524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4967 -2.3462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7642 -2.7257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0693 -2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3368 -2.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6418 -2.2160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6794 -1.3918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4120 -1.0123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1069 -1.4570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3973 -0.6848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8738 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1643 0.7250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9812 -0.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 -0.1984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4617 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0822 0.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0921 -0.8124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0496 -0.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4855 0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5351 -3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7266 -3.5499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9941 -3.9294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2991 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9565 -4.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -5.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1863 -5.9572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 -2.7909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 -3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 -3.9945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8490 -4.0596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8114 -4.8838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2293 -1.9667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1821 0.1913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 3 2 1 1 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 5 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 4 11 1 0 0 0 0 11 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 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 3 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 16 26 1 6 0 0 0 23 27 1 0 0 0 0 17 27 1 6 0 0 0 23 28 1 1 0 0 0 14 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 11 36 1 1 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 1 0 0 0 0 4 41 1 1 0 0 0 2 42 1 0 0 0 0 M END > NP0078354 > NP-MRD > CCCC(=O)O[C@H]1C\C(C)=C/[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@@H](OC(C)=O)[C@H]2C(C)=CC[C@H](OC(C)=O)[C@]2(C)[C@H]1OC(=O)CC > InChI=1S/C31H42O11/c1-9-11-24(35)39-20-14-16(3)15-22-31(30(8,42-31)28(36)40-22)27(38-19(6)33)25-17(4)12-13-21(37-18(5)32)29(25,7)26(20)41-23(34)10-2/h12,15,20-22,25-27H,9-11,13-14H2,1-8H3/b16-15-/t20-,21-,22-,25+,26-,27-,29-,30-,31-/m0/s1 > IKFPLXHSMAIESM-IGUOHBOOSA-N > C31H42O11 > 590.666 > 590.272712172 > 6 > 84 > 61.02064074595351 > 0 > 0 > 0 > 0 > (1S,2S,3S,7S,8R,9R,10S,12Z,14S,17R)-2,7-bis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-9-(propanoyloxy)-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadeca-4,12-dien-10-yl butanoate > 3.41 > 3.4615612089999988 > -4.74 > 1 > 4 > 0 > -4.360429649274516 > 144.03000000000003 > 146.5169 > 11 > 0 > 1.06e-02 g/l > (1S,2S,3S,7S,8R,9R,10S,12Z,14S,17R)-2,7-bis(acetyloxy)-4,8,12,17-tetramethyl-16-oxo-9-(propanoyloxy)-15,18-dioxatetracyclo[12.4.0.0^{1,17}.0^{3,8}]octadeca-4,12-dien-10-yl butanoate > 0 > NP0078354 > (-)-Briaranolide H $$$$