Mrv1572004261608512D 73 72 0 0 1 0 999 V2000 -6.2980 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1640 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0775 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5404 -6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7012 -2.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7608 -6.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4807 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1372 -7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1043 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 -6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9484 -3.8424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7340 -7.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5721 -4.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9544 -7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4162 -5.1926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3308 -7.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6366 -5.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5512 -7.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4807 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3953 -6.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7012 -6.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6158 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0775 -6.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9921 -6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 -6.2728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2126 -6.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6743 -5.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 -7.0829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8302 -4.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -6.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2066 -4.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -6.0028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3625 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -5.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7389 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7180 -4.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9593 -3.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -4.3825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -2.7622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 -3.5724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5561 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8094 -3.0323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4062 -3.3023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2503 -2.4922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9325 -2.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6535 -2.2221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2175 -3.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 -1.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2771 -1.6820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1529 -2.7622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8739 -1.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5452 -3.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6366 -1.6820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1689 -4.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8899 -8.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3516 -4.1124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7985 -6.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0130 -4.9226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9276 -7.8931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1043 -6.8129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0190 -6.0028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2334 -5.1926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1480 -7.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 -7.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0567 -5.7327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6098 -4.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1857 -7.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4270 -4.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2771 -5.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0615 -4.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1212 -4.6525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 -3.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 2 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 18 2 0 0 0 0 21 19 1 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 25 23 2 0 0 0 0 26 24 2 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 2 0 0 0 0 32 30 2 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 1 0 0 0 0 38 36 2 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 40 1 0 0 0 0 45 43 1 0 0 0 0 45 44 1 0 0 0 0 46 41 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 46 2 0 0 0 0 50 47 2 0 0 0 0 51 44 1 0 0 0 0 51 46 1 0 0 0 0 45 52 1 6 0 0 0 52 47 1 0 0 0 0 53 5 1 0 0 0 0 54 7 1 0 0 0 0 55 11 1 0 0 0 0 56 12 1 0 0 0 0 57 13 1 0 0 0 0 58 14 1 0 0 0 0 59 17 1 0 0 0 0 60 18 1 0 0 0 0 61 19 1 0 0 0 0 62 20 1 0 0 0 0 63 23 1 0 0 0 0 64 24 1 0 0 0 0 65 25 1 0 0 0 0 66 26 1 0 0 0 0 67 29 1 0 0 0 0 68 30 1 0 0 0 0 69 31 1 0 0 0 0 70 32 1 0 0 0 0 71 36 1 0 0 0 0 72 38 1 0 0 0 0 45 73 1 6 0 0 0 M END > CHEM037093 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCC(=O)OC[C@]([H])(CO)OC(=O)CC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC > InChI=1S/C47H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-46(49)51-44-45(43-48)52-47(50)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-32,36,38,45,48H,3-4,6,8-10,15-16,21-22,27-28,33-35,37,39-44H2,1-2H3/b7-5+,13-11+,14-12+,19-17+,20-18+,25-23+,26-24+,31-29+,32-30+,38-36+/t45-/m0/s1 > ZAEKZDVXKJHCLL-LGFHKWGISA-N > C47H72O5 > 717.088 > 716.537975418 > 3 > 124 > 88.26515665298173 > 0 > 1 > 0 > 0 > (2S)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-hydroxypropyl (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate > 8.68 > 13.718701195333331 > -7.54 > 0 > 0 > 0 > 14.577783786931047 > -2.9834773715963587 > 72.83 > 234.07690000000008 > 36 > 0 > 2.06e-05 g/l > (2S)-2-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-3-hydroxypropyl (7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoate > 0 > DG(22:5(7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0) $$$$