Mrv1533004181501052D 25 24 0 0 0 0 999 V2000 10.7250 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9000 8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 9.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4875 7.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6625 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4250 7.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0125 6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6000 5.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1875 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 -0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1250 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3625 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 3 0 0 0 0 9 10 1 0 0 0 0 10 11 3 0 0 0 0 11 12 1 0 0 0 0 12 13 3 0 0 0 0 13 14 1 0 0 0 0 14 15 3 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 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 16 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 M END > NP0212614 > NP-MRD > CC(=O)OCC=CC#CC#CC#CC#CC(COC(C)=O)OC(C)=O > InChI=1S/C19H16O6/c1-16(20)23-14-12-10-8-6-4-5-7-9-11-13-19(25-18(3)22)15-24-17(2)21/h10,12,19H,14-15H2,1-3H3 > OLXJPSQTGFDEJN-UHFFFAOYSA-N > C19H16O6 > 340.331 > 340.094688235 > 3 > 41 > 37.71347734268153 > 1 > 0 > 0 > 1 > 1,13-bis(acetyloxy)tridec-11-en-3,5,7,9-tetrayn-2-yl acetate > 3.81 > 1.9069538603333331 > -4.51 > 0 > 0 > 0 > 18.69239920985909 > -6.538310022483171 > 78.9 > 92.5428 > 13 > 1 > 1.05e-02 g/l > 1,13-bis(acetyloxy)tridec-11-en-3,5,7,9-tetrayn-2-yl acetate > 0 > NP0212614 > 1,13-bis(acetyloxy)tridec-11-en-3,5,7,9-tetrayn-2-yl acetate $$$$