Mrv0541 02241201022D 68 67 0 0 1 0 999 V2000 26.5820 -5.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6209 -5.8388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.6597 -5.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5820 -4.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6985 -5.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8709 -6.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3762 -6.9626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4090 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1235 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8379 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5524 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2669 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9813 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6958 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4103 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1248 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8393 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5537 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2682 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9827 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6971 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4117 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1261 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8406 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5551 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2696 -5.8388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9840 -5.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9840 -4.6013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0103 -7.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4392 -7.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1537 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8682 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5827 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2972 -7.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0117 -6.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7261 -7.3613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4406 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1551 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8695 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5841 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2985 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0130 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7275 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4419 -6.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1564 -7.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1564 -8.1863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2925 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0070 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7214 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4359 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1504 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8648 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5793 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2938 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0083 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7228 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4372 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1517 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8662 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5806 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2952 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0096 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7241 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4386 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1530 -4.1740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8675 -3.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8675 -2.9365 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 1 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 5 1 0 0 0 0 27 28 2 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 2 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 2 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 2 0 0 0 0 39 38 1 0 0 0 0 40 39 1 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 2 0 0 0 0 6 46 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 2 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 67 4 1 0 0 0 0 67 68 2 0 0 0 0 M END > BMDB0010514 > bmdb > [H][C@@](COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC > InChI=1S/C61H94O6/c1-4-7-10-13-16-19-22-25-28-30-33-35-38-41-44-47-50-53-59(62)65-56-58(67-61(64)55-52-49-46-43-40-37-32-27-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-39-36-34-31-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,32-36,41-42,44-45,58H,4-6,8,11,13-15,22-24,30-31,37-40,43,46-57H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,32-27-,35-33-,36-34-,44-41-,45-42-/t58-/m0/s1 > YIMBGAAIWNOSLS-HNSDUTPYSA-N > C61H94O6 > 923.3955 > 922.70504074 > 3 > 112.74558077195634 > 0 > 0 > 0 > 0 > (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate > 9.44 > 19.02677445433333 > -8.04 > 0 > 0 > 0 > -6.565947185579763 > 78.9 > 300.69949999999994 > 48 > 0 > 8.35e-06 g/l > (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate > 0 > BMDB0010514 > TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/20:5(5Z,8Z,11Z,14Z,17Z))[iso6] $$$$