Mrv1652309032216502D 18 17 0 0 1 0 999 V2000 -7.3362 -2.5855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6217 -2.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9072 -1.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1927 -1.3480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4783 -0.9355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7638 -0.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0493 -0.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3349 0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6204 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9059 1.1270 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 2 0 0 0 0 0 0 0 0 0 0.5230 1.9520 0.0000 Cl 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 O 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 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6664 -0.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 3 0 0 0 0 3 4 1 0 0 0 0 4 5 3 0 0 0 0 5 6 1 0 0 0 0 6 7 3 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 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 6 0 0 0 12 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 16 18 2 0 0 0 0 M END > NP0177065 > NP-MRD > CC#CC#CC#CC#C\C=C\[C@H](Cl)COC(C)=O > InChI=1S/C15H11ClO2/c1-3-4-5-6-7-8-9-10-11-12-15(16)13-18-14(2)17/h11-12,15H,13H2,1-2H3/b12-11+/t15-/m0/s1 > VVHDHSHPYVYIFL-RUMSDORHSA-N > C15H11ClO2 > 258.7 > 258.0447573 > 1 > 29 > 29.14723027674077 > 1 > 0 > 0 > 1 > (2S,3E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-yl acetate > 3.660066052333333 > 0 > 0 > 0 > -6.997724286697941 > 26.3 > 75.51610000000001 > 8 > 1 > (2S,3E)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-yl acetate > 1 > NP0177065 > (2s,3e)-2-chlorotridec-3-en-5,7,9,11-tetrayn-1-yl acetate $$$$