Mrv0541 02241201042D 70 69 0 0 1 0 999 V2000 21.4829 -4.4736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5218 -5.0287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5606 -4.4738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4829 -3.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5993 -5.0287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7718 -6.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2771 -6.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3098 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0243 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7388 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4532 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1677 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8822 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5966 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3112 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0256 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7401 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4546 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1690 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8835 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5980 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3125 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0270 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7415 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4559 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1704 -5.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8849 -4.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8849 -3.7912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9112 -6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6257 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3401 -6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0546 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7691 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1981 -6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9125 -6.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6270 -6.5512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3415 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0560 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7704 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4850 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1994 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9139 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6284 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3428 -6.1386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0573 -6.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0573 -7.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7644 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4789 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1933 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9079 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3368 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0513 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7657 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4802 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1947 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9091 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6237 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3381 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0526 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7671 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4815 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1960 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9105 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6250 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3395 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0539 -3.3638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7684 -2.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7684 -2.1263 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 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 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 > BMDB0010540 > 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/C\C=C/CC)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC > InChI=1S/C63H96O6/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/h7-12,16-21,25-29,31,33-35,37-38,41,43,46,60H,4-6,13-15,22-24,30,32,36,39-40,42,44-45,47-59H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,33-31-,34-27-,37-35-,41-38-,46-43-/t60-/m1/s1 > XBIIHGZOHMKREU-SRHCOVDBSA-N > C63H96O6 > 949.4327 > 948.720690804 > 3 > 117.6040140109759 > 0 > 0 > 0 > 0 > (2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 9.33 > 19.553990127666665 > -8.03 > 0 > 0 > 0 > -6.56590758837779 > 78.9 > 311.01809999999995 > 49 > 0 > 8.86e-06 g/l > (2S)-3-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0010540 > TG(20:5(5Z,8Z,11Z,14Z,17Z)/18:3(9Z,12Z,15Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso6] $$$$