Mrv1533004231515452D 26 25 0 0 0 0 999 V2000 -1.0433 8.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4488 7.5766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3438 7.8054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9383 7.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5328 6.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 6.0893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7217 5.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3162 4.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 4.1444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4882 3.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 2.7715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1088 5.1741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3070 5.9749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7033 4.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4959 4.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0904 4.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8830 4.4876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 3.9156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2701 4.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8646 3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6573 3.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5051 3.8012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 3.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8922 3.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 2.4283 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 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 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 8 13 1 0 0 0 0 13 14 1 0 0 0 0 13 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 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 15 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 M END > NP0264940 > NP-MRD > CCCC#CC#CC(OC(C)=O)C(O)C(CCCCCC=C)OC(C)=O > InChI=1S/C21H30O5/c1-5-7-9-11-13-15-19(25-17(3)22)21(24)20(26-18(4)23)16-14-12-10-8-6-2/h5,19-21,24H,1,6-9,11,13,15H2,2-4H3 > CLZJIIYDOPDQKJ-UHFFFAOYSA-N > C21H30O5 > 362.466 > 362.209324066 > 3 > 56 > 41.718445302355995 > 1 > 1 > 0 > 1 > 10-(acetyloxy)-9-hydroxyheptadec-1-en-11,13-diyn-8-yl acetate > 4.74 > 4.388451090333334 > -4.56 > 0 > 0 > 0 > 19.57165954257885 > 12.764825713319489 > -3.7764635398572013 > 72.83000000000001 > 101.3276 > 16 > 1 > 9.90e-03 g/l > 10-(acetyloxy)-9-hydroxyheptadec-1-en-11,13-diyn-8-yl acetate > 0 > NP0264940 > 10-(acetyloxy)-9-hydroxyheptadec-1-en-11,13-diyn-8-yl acetate $$$$