Mrv1652309042206432D 20 19 0 0 1 0 999 V2000 -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 3.3809 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0954 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 1.1270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8099 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 2.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 3.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 4.4270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8099 5.2520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0954 5.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 5.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 6.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 0.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2388 1.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9533 0.7145 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 1 0 0 0 0 4 5 1 0 0 0 0 6 5 1 4 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 3 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 12 13 1 0 0 0 0 13 14 1 6 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 8 17 1 1 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 M END > NP0188392 > NP-MRD > CC(=O)O[C@@H](C=CCCCC=C)C#CC#C[C@H](O)C=C > InChI=1S/C17H20O3/c1-4-6-7-8-9-13-17(20-15(3)18)14-11-10-12-16(19)5-2/h4-5,9,13,16-17,19H,1-2,6-8H2,3H3/t16-,17+/m1/s1 > HLVQUNXVXXEPER-SJORKVTESA-N > C17H20O3 > 272.344 > 272.141244504 > 2 > 40 > 31.34781334616833 > 1 > 1 > 0 > 1 > (3R,8S)-3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate > 3.6230897740000008 > 0 > 0 > 0 > 13.198533352901816 > -3.586761511440746 > 46.53 > 82.6193 > 11 > 1 > (3R,8S)-3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate > 0 > NP0188392 > (3r,8s)-3-hydroxypentadeca-1,9,14-trien-4,6-diyn-8-yl acetate $$$$