Mrv1652309122217462D 21 20 0 0 0 0 999 V2000 6.2388 3.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 4.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 4.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 4.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 3.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 2.9980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3809 2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -1.1270 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 1.9520 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2375 0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 3 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 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 2 0 0 0 0 13 14 1 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 19 20 1 0 0 0 0 20 21 3 0 0 0 0 M END > NP0330427 > NP-MRD > C#C\C=C/CCCC\C=C/C#CC#CCCC\C=C/C#C > InChI=1S/C21H22/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,17,19H,9-15H2/b7-5-,8-6-,19-17- > JFENLTHOQHAVOQ-CJGOWDHWSA-N > C21H22 > 274.407 > 274.172150708 > 0 > 43 > 33.808621181641435 > 0 > 0 > 0 > 0 > (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne > 6.269006699666666 > 0 > 0 > 0 > 0.0 > 97.41900000000001 > 11 > 0 > (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne > 0 > NP0330427 > (3z,12z,18z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne $$$$