Mrv1652304202021052D 72 71 0 0 1 0 999 V2000 26.9454 -6.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9843 -7.0959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0231 -6.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9454 -5.4312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0619 -7.0959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2342 -8.2059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7395 -8.2197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3434 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0578 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7723 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4868 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2013 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9158 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6302 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0592 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7736 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4881 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2026 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9171 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6316 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3461 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0605 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7750 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4895 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2040 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9185 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6329 -7.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3474 -6.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3474 -5.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3737 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0882 -8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8026 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5171 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2316 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9461 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6606 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3750 -8.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0895 -8.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8040 -8.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5184 -8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2329 -8.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9474 -8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6619 -8.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3764 -8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0908 -8.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8053 -8.2058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5198 -8.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5198 -9.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2269 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9413 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6558 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3703 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0848 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7993 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5137 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2282 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9427 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6571 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3716 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0861 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8006 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5151 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2295 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9440 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6585 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3730 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0875 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8020 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5164 -5.4312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2309 -5.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2309 -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 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 33 1 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 1 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 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 1 0 0 0 0 48 47 1 0 0 0 0 49 48 2 0 0 0 0 6 48 1 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 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 4 1 0 0 0 0 71 72 2 0 0 0 0 M END > BMDB0010544 > bmdb > [H]C(COC(=O)CCCCC\C=C/C\C=C/C\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)CCCCCCC\C=C/CCCCCCCC > InChI=1S/C65H104O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-8,10-11,16-17,19-20,25-29,32-36,39-40,42-43,62H,4-6,9,12-15,18,21-24,30-31,37-38,41,44-61H2,1-3H3/b10-7-,11-8-,19-16-,20-17-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40- > XRIGAJUVDRNXQG-CRBSXKCRSA-N > C65H104O6 > 981.5177 > 980.78329106 > 3 > 175 > 121.40638814298097 > 0 > 0 > 0 > 0 > 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 10.20 > 21.166970771000003 > -8.24 > 0 > 0 > 0 > -6.5658679947858 > 78.9 > 317.98689999999993 > 53 > 0 > 5.63e-06 g/l > 3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyloxy]-2-[(9Z)-octadec-9-enoyloxy]propyl (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoate > 0 > BMDB0010544 > TG(22:5(7Z,10Z,13Z,16Z,19Z)/18:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))[iso3] $$$$