Mrv1652309122214022D 15 14 0 0 0 0 999 V2000 5.7750 2.8579 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 3.7125 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3000 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4750 1.4289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 2.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0625 0.7145 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 -1.2375 -0.7145 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 -1.6500 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 M END > NP0328510 > NP-MRD > CC(O)C\C=C\C=C\C(O)C\C=C\C=C > InChI=1S/C13H20O2/c1-3-4-6-10-13(15)11-8-5-7-9-12(2)14/h3-8,11-15H,1,9-10H2,2H3/b6-4+,7-5+,11-8+ > QPSDEVHCBILQEK-RHEQMUENSA-N > C13H20O2 > 208.301 > 208.146329884 > 2 > 35 > 25.179638010837863 > 1 > 2 > 0 > 1 > (4E,6E,10E)-trideca-4,6,10,12-tetraene-2,8-diol > 2.1578822673333327 > 0 > 0 > 0 > 17.79196414946419 > 17.71517681820099 > -1.2930336704526555 > 40.46 > 68.27110000000002 > 7 > 1 > (4E,6E,10E)-trideca-4,6,10,12-tetraene-2,8-diol > 0 > NP0328510 > (4e,6e,10e)-trideca-4,6,10,12-tetraene-2,8-diol $$$$