Mrv0541 02241201052D 72 71 0 0 1 0 999 V2000 26.5820 -6.7276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6209 -7.2826 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6597 -6.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5820 -5.6178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6985 -7.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8709 -8.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3762 -8.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9800 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6945 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4089 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1235 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8379 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5524 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2669 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6958 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1247 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8393 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5537 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2682 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9827 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6971 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4116 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1261 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8406 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5551 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2696 -7.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9840 -6.8701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9840 -6.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0103 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 -8.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4392 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1537 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8682 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5827 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2972 -8.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0117 -8.3926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7261 -8.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4406 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1551 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8695 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5841 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2985 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0130 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7275 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4419 -8.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1564 -8.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1564 -9.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8635 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5780 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2924 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7214 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4359 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8648 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5793 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2938 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0082 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7228 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4372 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1517 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8662 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5806 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2951 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0096 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7241 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4386 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1530 -5.6178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8675 -5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8675 -4.3803 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 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 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 5 1 0 0 0 0 29 30 2 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 1 0 0 0 0 47 46 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 6 48 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 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 2 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 4 1 0 0 0 0 71 72 2 0 0 0 0 M END > BMDB0010547 > bmdb > [H][C@@](COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)(COC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C65H100O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-21,25-29,32-36,39-40,42-43,48,51,62H,4-6,9,12-15,22-24,30-31,37-38,41,44-47,49-50,52-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-/t62-/m0/s1 > NZZPEUWLSFJAKQ-CCJWCYSHSA-N > C65H100O6 > 977.4859 > 976.751990932 > 3 > 121.48919687741238 > 0 > 0 > 0 > 0 > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.58 > 20.443127457666666 > -8.07 > 0 > 0 > 0 > -6.567013933320493 > 78.9 > 320.22009999999983 > 51 > 0 > 8.38e-06 g/l > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010547 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$