Mrv0541 02241201042D 69 68 0 0 1 0 999 V2000 21.1645 -6.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2034 -6.7382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2422 -6.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1644 -5.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2809 -6.7382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4533 -7.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9586 -7.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9914 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7059 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4204 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8493 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5638 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9928 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7072 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4217 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1362 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8506 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5651 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2796 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9941 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7086 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1375 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8520 -6.7382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5665 -6.3257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5927 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3072 -8.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0217 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7361 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4506 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1651 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8796 -8.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5941 -7.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3086 -8.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0230 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7375 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4520 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1665 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8810 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5954 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3099 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0244 -7.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7388 -8.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7388 -9.0857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4459 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1604 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8749 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3039 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0183 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7328 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4473 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1617 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5907 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3052 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0197 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7341 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4486 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1631 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8775 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5920 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3065 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0210 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7355 -5.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4499 -4.6609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4499 -3.8359 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 29 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 2 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 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 2 0 0 0 0 6 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 2 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 1 0 0 0 0 68 4 1 0 0 0 0 68 69 2 0 0 0 0 M END > BMDB0010530 > bmdb > [H][C@@](COCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(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/C63H100O5/c1-4-7-10-13-16-19-22-25-28-30-32-33-36-38-41-44-47-50-53-56-62(64)67-60-61(68-63(65)57-54-51-48-45-42-39-35-27-24-21-18-15-12-9-6-3)59-66-58-55-52-49-46-43-40-37-34-31-29-26-23-20-17-14-11-8-5-2/h7,10,16-21,25-29,32-35,37-38,41,43,46-47,50,61H,4-6,8-9,11-15,22-24,30-31,36,39-40,42,44-45,48-49,51-60H2,1-3H3/b10-7-,19-16-,20-17-,21-18-,28-25-,29-26-,33-32-,35-27-,37-34-,41-38-,46-43-,50-47-/t61-/m1/s1 > CAWPONGFPIWJBR-CVTOORNTSA-N > C63H100O5 > 937.4651 > 936.75707631 > 3 > 116.7045044061281 > 0 > 0 > 0 > 0 > (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.07 > 20.29670738033333 > -8.13 > 0 > 0 > 0 > -4.140455777605868 > 61.830000000000005 > 310.1468999999999 > 50 > 0 > 6.88e-06 g/l > (2R)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010530 > TG(20:4(5Z,8Z,11Z,14Z)/18:2(9Z,12Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$