Mrv0541 05061309092D 15 14 0 0 0 0 999 V2000 4.9500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 5.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8875 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.4289 0.0000 C 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 0.8250 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 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 -0.4125 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6500 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.4289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 2 0 0 0 0 4 3 1 0 0 0 0 5 4 3 0 0 0 0 6 5 1 0 0 0 0 7 6 3 0 0 0 0 8 7 1 0 0 0 0 9 8 3 0 0 0 0 10 9 1 0 0 0 0 11 10 2 0 0 0 0 13 11 1 0 0 0 0 13 12 1 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 M END > NP0048513 > NP-MRD > C\C=C/C#CC#CC#C\C=C\C(O)CO > InChI=1S/C13H12O2/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14/h2-3,10-11,13-15H,12H2,1H3/b3-2-,11-10+ > GVCJUCQUVWZELI-JSQGHLFOSA-N > C13H12O2 > 200.2332 > 200.083729628 > 2 > 23.597202942299525 > 1 > 2 > 0 > 1 > (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol > 2.65 > 1.9177204646666666 > -4.03 > 0 > 0 > 0 > 15.648293072935772 > 13.963432186238208 > -2.9546626656947534 > 40.46 > 65.06880000000001 > 6 > 1 > 1.89e-02 g/l > (3E,11Z)-trideca-3,11-dien-5,7,9-triyne-1,2-diol > 0 > NP0048513 > Safynol $$$$