Mrv1533004171500082D 14 13 0 0 0 0 999 V2000 5.7750 5.7158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9500 5.7158 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 -0.4125 -0.7145 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 1 2 1 0 0 0 0 3 2 1 4 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 3 0 0 0 0 6 7 1 0 0 0 0 7 8 3 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 11 10 1 4 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 M END > NP0154822 > NP-MRD > OCC=CC#CC#CC#CC=CC=C > InChI=1S/C13H10O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h2-4,11-12,14H,1,13H2 > OHERCADPJNOCBH-UHFFFAOYSA-N > C13H10O > 182.222 > 182.073164942 > 1 > 24 > 22.348433855432308 > 1 > 1 > 0 > 1 > trideca-2,10,12-trien-4,6,8-triyn-1-ol > 3.36 > 2.6886360853333326 > -4.18 > 0 > 0 > 0 > 15.54903776635459 > -2.5586508809965025 > 20.23 > 63.751400000000004 > 6 > 1 > 1.21e-02 g/l > trideca-2,10,12-trien-4,6,8-triyn-1-ol > 1 > NP0154822 > trideca-2,10,12-trien-4,6,8-triyn-1-ol $$$$