Mrv1652304202021082D 72 71 0 0 1 0 999 V2000 26.9749 -8.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0138 -8.9326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.0526 -8.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9748 -7.2678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0913 -8.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2637 -10.0426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.7690 -10.0564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3728 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0873 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8018 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5163 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2308 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6597 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3742 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0886 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8031 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5176 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2321 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9466 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6611 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3755 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0900 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8045 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5189 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2335 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9479 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6624 -8.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3769 -8.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3769 -7.6951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1176 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8321 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5466 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2610 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9756 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6900 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4045 -10.0426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1190 -10.4551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8334 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5479 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2624 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9769 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6914 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4058 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1203 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8348 -10.0425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5492 -10.4550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5492 -11.2801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2563 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9708 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6853 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3998 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1143 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8287 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5432 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2577 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9721 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6866 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4011 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1156 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8301 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5445 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2590 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9735 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6880 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4024 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1170 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8314 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5459 -7.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2604 -6.8553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2604 -6.0303 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 2 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 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 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 2 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 > BMDB0010558 > bmdb > [H]C(COC(=O)CC\C=C/C\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)CCCCCCC\C=C/C\C=C/C\C=C/CC > InChI=1S/C65H96O6/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/h7-12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49- > TXUHULOCCNJMID-GTUNKWFOSA-N > C65H96O6 > 973.4541 > 972.720690804 > 3 > 167 > 116.62281671918387 > 0 > 0 > 0 > 0 > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 9.14 > 19.719284144333336 > -7.85 > 0 > 0 > 0 > -6.568162903553922 > 78.9 > 322.45329999999984 > 49 > 0 > 1.37e-05 g/l > 3-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate > 0 > BMDB0010558 > TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] $$$$