Mrv0541 02241201022D 70 69 0 0 1 0 999 V2000 26.3365 -6.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3754 -7.0370 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.4142 -6.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3365 -5.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4530 -7.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6254 -8.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1307 -8.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5924 -6.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0214 -6.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7358 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4503 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1648 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8793 -6.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5938 -7.0370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3082 -6.6245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0227 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7372 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4516 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1662 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8806 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5951 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3096 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0240 -7.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7385 -6.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7385 -5.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3359 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0503 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7648 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4793 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1937 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9082 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6227 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3372 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0517 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7661 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4806 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1951 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9095 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6240 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3385 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0530 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7675 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4819 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1964 -8.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9109 -8.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9109 -9.3845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6180 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3324 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0469 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7614 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4759 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1904 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9048 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6193 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3338 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0483 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7627 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4773 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1917 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9062 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6207 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3351 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0496 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7641 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4786 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1931 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9075 -5.3722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6220 -4.9597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6220 -4.1347 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 2 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 5 25 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 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 6 1 0 0 0 0 46 47 2 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 68 1 0 0 0 0 68 69 1 0 0 0 0 69 4 1 0 0 0 0 69 70 2 0 0 0 0 M END > BMDB0010515 > bmdb > [H][C@@](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)(COC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC > InChI=1S/C63H98O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h7,9-10,12,16-21,25-29,31,33-34,36,38-39,41,45,48,60H,4-6,8,11,13-15,22-24,30,32,35,37,40,42-44,46-47,49-59H2,1-3H3/b10-7-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,39-36-,41-38-,48-45-/t60-/m1/s1 > HDVLWZUIDQAXDZ-YSJMQRGUSA-N > C63H98O6 > 951.4486 > 950.736340868 > 3 > 118.71351347197404 > 0 > 0 > 0 > 0 > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 9.68 > 19.915911784333332 > -8.10 > 0 > 0 > 0 > -6.565906421083745 > 78.9 > 309.90149999999994 > 50 > 0 > 7.60e-06 g/l > (2R)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0010515 > TG(18:3(9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] $$$$