Mrv0541 02241201052D 70 69 0 0 1 0 999 V2000 26.6999 -6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7388 -7.0959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.7776 -6.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6998 -5.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8164 -7.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9887 -8.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.4940 -8.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0979 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8123 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5268 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2413 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9558 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6703 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0992 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8137 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5281 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2426 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9571 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6716 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3861 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1005 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8150 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5295 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2439 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9585 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6729 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3874 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1019 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1019 -5.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5572 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2717 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9862 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7006 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4151 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1296 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8440 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5585 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2730 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9874 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7019 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4164 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1309 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8453 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5598 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2743 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2743 -9.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9813 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4103 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1248 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8393 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5538 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2682 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9827 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6972 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4116 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1261 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8406 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5551 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2696 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9840 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6985 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4130 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1274 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8420 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5564 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2709 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9854 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9854 -4.1936 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 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 2 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 > BMDB0010543 > 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)CCCCCCCCCCCCCCC > InChI=1S/C63H100O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-40-43-46-49-52-55-61(64)67-58-60(69-63(66)57-54-51-48-45-42-37-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-28,31-34,38-41,46,49,60H,4-6,9,12-15,18,21-24,29-30,35-37,42-45,47-48,50-59H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,27-25-,28-26-,33-31-,34-32-,40-38-,41-39-,49-46-/t60-/m0/s1 > MDADRLWXQATSON-ULPPZGOQSA-N > C63H100O6 > 953.4645 > 952.751990932 > 3 > 120.04808119265445 > 0 > 0 > 0 > 0 > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 10.11 > 20.277833441000002 > -8.18 > 0 > 0 > 0 > -6.567013933320472 > 78.9 > 308.7848999999999 > 51 > 0 > 6.36e-06 g/l > (2R)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-(hexadecanoyloxy)propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010543 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso6] $$$$