Mrv1652309082223352D 20 19 0 0 0 0 999 V2000 4.2355 3.2704 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 5.6645 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3789 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0934 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8079 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5224 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2368 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9513 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6658 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3802 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0947 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8092 3.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5237 3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2381 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9526 3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6671 4.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 3.6829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0960 4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3815 2.8579 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 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 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 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 M END > NP0274261 > NP-MRD > CCCCCCCCCC\C=C\C#CCCCC(O)=O > InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h11-12H,2-10,15-17H2,1H3,(H,19,20)/b12-11+ > DSZQZURPKJVVGY-VAWYXSNFSA-N > C18H30O2 > 278.436 > 278.224580206 > 2 > 50 > 36.48241049652794 > 0 > 1 > 0 > 0 > (7E)-octadec-7-en-5-ynoic acid > 6.368505115666666 > 0 > 0 > -1 > 4.383042164265821 > 37.3 > 86.76359999999998 > 14 > 0 > (7E)-octadec-7-en-5-ynoic acid > 0 > NP0274261 > (7e)-octadec-7-en-5-ynoic acid $$$$