Mrv1533004201505192D 20 19 0 0 0 0 999 V2000 3.7125 -1.3184 0.0000 O 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 4.4270 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1414 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2849 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 -2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7138 -2.5559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9993 -1.3184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9980 -2.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5691 -3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -2.9684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -3.3809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1401 -4.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -4.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5743 -5.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -5.8559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2888 -6.6809 0.0000 C 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 2 0 0 0 0 8 10 1 0 0 0 0 2 11 1 0 0 0 0 11 12 3 0 0 0 0 13 12 1 4 0 0 0 13 14 2 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 1 0 0 0 0 19 20 2 0 0 0 0 M END > NP0276544 > NP-MRD > OC(CCCCCC(O)=O)C#CC=CCCCCC=C > InChI=1S/C17H26O3/c1-2-3-4-5-6-7-8-10-13-16(18)14-11-9-12-15-17(19)20/h2,7-8,16,18H,1,3-6,9,11-12,14-15H2,(H,19,20) > IAULKWACXKVOEP-UHFFFAOYSA-N > C17H26O3 > 278.392 > 278.188194697 > 3 > 46 > 34.30341168872814 > 1 > 2 > 0 > 1 > 7-hydroxyheptadeca-10,16-dien-8-ynoic acid > 4.47 > 4.389137397333334 > -4.73 > 0 > 0 > -1 > 15.098024077474847 > 4.255789123101701 > -2.755924326000077 > 57.53 > 83.7222 > 13 > 1 > 5.19e-03 g/l > 7-hydroxyheptadeca-10,16-dien-8-ynoic acid > 0 > NP0276544 > 7-hydroxyheptadeca-10,16-dien-8-ynoic acid $$$$