Mrv0541 02241201042D 70 69 0 0 1 0 999 V2000 21.4927 -4.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5316 -5.0286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5704 -4.4737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4926 -3.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6091 -5.0286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7815 -6.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2868 -6.1524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9208 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3498 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0642 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7787 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4932 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2078 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9222 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6367 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3512 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0656 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7801 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4946 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2091 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9236 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6380 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3526 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0670 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0670 -7.3761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7740 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2029 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9175 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6319 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3464 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0609 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4899 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2043 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9188 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6333 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3478 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0623 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7767 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4912 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2057 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9202 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6347 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3492 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0637 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7782 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7782 -2.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0341 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7486 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4630 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1775 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8920 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6064 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3210 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0354 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7499 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4644 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1788 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8933 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3223 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0368 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7513 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4657 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1802 -5.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8947 -4.6161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8947 -3.7911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 6 0 0 0 2 7 1 1 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 10 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 2 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 1 0 0 0 0 24 23 1 0 0 0 0 25 24 1 0 0 0 0 26 25 2 0 0 0 0 6 25 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 4 1 0 0 0 0 48 49 2 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 2 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 1 0 0 0 0 68 69 1 0 0 0 0 69 5 1 0 0 0 0 69 70 2 0 0 0 0 M END > BMDB0010529 > bmdb > [H][C@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-38-41-44-47-50-53-56-62(65)68-59-60(69-63(66)57-54-51-48-45-42-39-34-27-24-21-18-15-12-9-6-3)58-67-61(64)55-52-49-46-43-40-37-35-32-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,8-9,11-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1 > AKOYMLIOOBZSET-JMGMTHPCSA-N > C63H100O6 > 953.4645 > 952.751990932 > 3 > 119.75680790123673 > 0 > 0 > 0 > 0 > (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 10.02 > 20.277833441000002 > -8.17 > 0 > 0 > 0 > -6.56590758837779 > 78.9 > 308.78489999999994 > 51 > 0 > 6.45e-06 g/l > (2S)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0010529 > TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] $$$$