Mrv1652304282220322D 43 46 0 0 1 0 999 V2000 1.1206 -2.3091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3526 -2.0077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1095 -1.2193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5742 -0.5377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3969 -0.4760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9580 -1.0808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8351 -1.8966 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5495 -2.3091 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5495 -3.1341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8351 -3.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1206 -3.1341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4061 -3.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -3.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7613 -3.8913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8112 -2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -3.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2640 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 -0.6591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4074 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8364 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5508 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2653 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9798 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6942 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4087 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1232 0.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8377 0.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2012 -0.2925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2739 0.3398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 0.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1617 0.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7155 -1.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1903 -0.5324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 -1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3220 -2.4826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7705 -2.2309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2706 -0.4871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4389 -2.7738 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 7 6 1 1 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 1 11 1 0 0 0 0 11 12 1 1 0 0 0 9 13 1 6 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 9 16 1 1 0 0 0 8 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 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 6 33 1 1 0 0 0 5 33 1 0 0 0 0 5 34 1 6 0 0 0 34 35 1 0 0 0 0 4 36 1 6 0 0 0 3 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 39 40 2 0 0 0 0 2 40 1 6 0 0 0 39 41 1 0 0 0 0 3 42 1 6 0 0 0 1 43 1 1 0 0 0 M END > NP0073252 > NP-MRD > CCCCCCCCC\C=C\C=C\C(=O)O[C@@H]1[C@@H]2[C@@H]3O[C@]3(CO)[C@@H](O)[C@@]3(O)[C@@H](C=C(C)C3=O)[C@@]2(O)[C@H](C)C[C@@]1(O)C(C)=C > InChI=1S/C34H50O9/c1-6-7-8-9-10-11-12-13-14-15-16-17-25(36)42-28-26-29-32(20-35,43-29)30(38)34(41)24(18-22(4)27(34)37)33(26,40)23(5)19-31(28,39)21(2)3/h14-18,23-24,26,28-30,35,38-41H,2,6-13,19-20H2,1,3-5H3/b15-14+,17-16+/t23-,24+,26-,28-,29+,30-,31-,32+,33+,34-/m1/s1 > GXMAZRXKZHGJLF-UFUMQVQKSA-N > C34H50O9 > 602.765 > 602.34548319 > 8 > 93 > 68.4298619667282 > 0 > 5 > 0 > 0 > (1S,2S,4R,5S,6S,10S,11R,12R,14R,15R)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0^{2,4}.0^{6,10}]pentadec-8-en-15-yl (2E,4E)-tetradeca-2,4-dienoate > 4.13 > 4.291536615333333 > -4.71 > 1 > 4 > 0 > 12.951286602910386 > 11.633765816995735 > -3.149713137387212 > 157.04999999999998 > 163.43390000000005 > 14 > 0 > 1.18e-02 g/l > (1S,2S,4R,5S,6S,10S,11R,12R,14R,15R)-5,6,11,14-tetrahydroxy-4-(hydroxymethyl)-8,12-dimethyl-7-oxo-14-(prop-1-en-2-yl)-3-oxatetracyclo[9.4.0.0^{2,4}.0^{6,10}]pentadec-8-en-15-yl (2E,4E)-tetradeca-2,4-dienoate > 0 > NP0073252 > Wikstroelide M $$$$