Mrv1652304062009212D 73 72 0 0 0 0 999 V2000 10.9949 10.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1727 10.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8203 11.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7029 10.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8807 10.3005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4108 9.6224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5886 9.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 9.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 9.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8267 8.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0045 8.4695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 7.7914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7125 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2427 7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4205 7.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9506 6.5707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3030 5.8247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 5.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1855 4.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0078 4.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3601 3.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1823 3.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5347 2.7731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 2.7053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4647 11.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2870 11.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7568 12.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5790 12.0637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0488 12.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6965 13.4878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8710 12.6740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3409 13.3522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1631 13.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6329 13.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2805 14.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7504 15.3866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3980 16.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5758 16.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2234 16.9463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4012 17.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9314 16.3360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2837 15.5900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8139 14.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9917 14.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 15.7257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8171 15.7935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3473 15.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5251 15.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0552 14.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2330 14.5728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7632 13.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6393 10.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1695 10.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3473 10.0971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5219 9.2833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0520 8.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4044 7.8592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9346 7.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2870 6.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1092 6.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4615 5.6213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2837 5.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7536 6.2316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5758 6.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0456 6.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6932 7.5879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8710 7.6557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5187 8.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9885 9.0798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6361 9.8258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1060 10.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9282 10.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3980 11.1143 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 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 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 1 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 26 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 53 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 2 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 2 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 M END > BMDB0108294 > bmdb > CCCCC\C=C/C\C=C/CCCCCCCCCCCC(=O)OCC(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC > InChI=1S/C67H106O6/c1-4-7-10-13-16-19-22-25-28-31-33-36-38-41-44-47-50-53-56-59-65(68)71-62-64(73-67(70)61-58-55-52-49-46-43-40-35-30-27-24-21-18-15-12-9-6-3)63-72-66(69)60-57-54-51-48-45-42-39-37-34-32-29-26-23-20-17-14-11-8-5-2/h9,12,16-21,25-30,33,36,40-41,43-44,49-50,52-53,64H,4-8,10-11,13-15,22-24,31-32,34-35,37-39,42,45-48,51,54-63H2,1-3H3/b12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-,36-33-,43-40-,44-41-,52-49-,53-50- > RGZPJKLAECARNG-IKEQSCLMSA-N > C67H106O6 > 1007.5549 > 1006.798941124 > 3 > 179 > 126.1328186182603 > 0 > 0 > 0 > 0 > 3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 10.18 > 21.694186444333333 > -8.18 > 0 > 0 > 0 > -6.567052461149242 > 78.9 > 328.3054999999998 > 54 > 0 > 6.67e-06 g/l > 3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]propyl (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate > 0 > BMDB0108294 > TG(22:2(13Z,16Z)/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z)) $$$$