Mrv1652309022206132D 23 22 0 0 0 0 999 V2000 1.4289 -4.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -3.9039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -3.4914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -2.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -2.2539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -0.1914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.2211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.0461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 1.4586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 1.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.2836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 2.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 3.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0013 3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7158 4.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 3.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.0164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.0164 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 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 12 13 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 4 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 M END > NP0148474 > NP-MRD > CCCC(CC\C=C\C=C\C#CC#CC\C=C/CO)OC(C)=O > InChI=1S/C20H26O3/c1-3-16-20(23-19(2)22)17-14-12-10-8-6-4-5-7-9-11-13-15-18-21/h6,8,10,12-13,15,20-21H,3,11,14,16-18H2,1-2H3/b8-6+,12-10+,15-13- > AKVJQLCJYKTDNL-UHXCPQQUSA-N > C20H26O3 > 314.425 > 314.188194697 > 2 > 49 > 38.451827249626064 > 1 > 1 > 0 > 1 > (7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-yl acetate > 5.01 > 4.323245958666667 > -4.75 > 0 > 0 > 0 > 15.984817117952296 > -2.368040992607666 > 46.53 > 99.2885 > 13 > 1 > 5.62e-03 g/l > (7E,9E,16Z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-yl acetate > 0 > NP0148474 > (7e,9e,16z)-18-hydroxyoctadeca-7,9,16-trien-11,13-diyn-4-yl acetate $$$$