Mrv1533004241514202D 26 25 0 0 0 0 999 V2000 2.9024 0.8704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9825 -0.0651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 1.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 1.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6028 1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4129 1.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6830 0.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4931 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0332 1.3381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 -0.0651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9530 2.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 2.1177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3033 2.7413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1134 2.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6535 3.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1936 3.8327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7337 4.4563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2737 5.0800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8138 5.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6240 5.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1641 6.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8940 6.9509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4341 7.5745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1641 8.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2442 7.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 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 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 12 7 1 4 0 0 0 12 13 2 0 0 0 0 14 13 1 4 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 3 0 0 0 0 17 18 1 0 0 0 0 18 19 3 0 0 0 0 20 19 1 4 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 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 > NP0159131 > NP-MRD > CC(=O)OCCC(OC(C)=O)C=CC=CC#CC#CC=CCOC(C)=O > InChI=1S/C20H22O6/c1-17(21)24-15-12-10-8-6-4-5-7-9-11-13-20(26-19(3)23)14-16-25-18(2)22/h7,9-13,20H,14-16H2,1-3H3 > FHMJPDDYIZJLRC-UHFFFAOYSA-N > C20H22O6 > 358.39 > 358.141638428 > 3 > 48 > 39.911793017332066 > 1 > 0 > 0 > 1 > 1,14-bis(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate > 3.73 > 2.0736569566666665 > -4.66 > 0 > 0 > 0 > -6.526790861848346 > 78.9 > 100.91860000000001 > 14 > 1 > 7.77e-03 g/l > 1,14-bis(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate > 0 > NP0159131 > 1,14-bis(acetyloxy)tetradeca-4,6,12-trien-8,10-diyn-3-yl acetate $$$$