Mrv0541 02231220262D 63 62 0 0 1 0 999 V2000 18.2517 -8.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3952 -8.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9662 -9.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5373 -7.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1097 -9.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6807 -11.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9649 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2504 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6793 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5359 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8215 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1071 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9635 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 -11.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9635 -9.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8229 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2491 -12.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 -9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5373 -13.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8229 -13.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5373 -12.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3924 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -12.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9676 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2530 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8229 -14.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2517 -12.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6781 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6821 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5387 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3965 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5346 -13.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 -14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6807 -8.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2517 -11.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5373 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8241 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9662 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1110 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6807 -9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9649 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1082 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2504 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6793 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1097 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8201 -13.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9662 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5359 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8255 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8215 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5400 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1071 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5400 -7.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5400 -5.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2545 -7.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5400 -5.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8255 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2545 -6.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8255 -3.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1110 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 1 40 1 0 0 0 0 36 2 1 6 0 0 0 2 47 1 0 0 0 0 3 42 1 0 0 0 0 3 49 1 0 0 0 0 4 38 2 0 0 0 0 5 47 2 0 0 0 0 6 49 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 13 18 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 19 25 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 25 34 1 0 0 0 0 26 27 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 35 1 0 0 0 0 29 37 1 0 0 0 0 31 33 1 0 0 0 0 32 39 1 0 0 0 0 33 41 1 0 0 0 0 34 48 1 0 0 0 0 35 44 1 0 0 0 0 36 40 1 0 0 0 0 36 42 1 0 0 0 0 37 49 1 0 0 0 0 39 47 1 0 0 0 0 41 52 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 44 51 2 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 50 53 1 0 0 0 0 52 54 2 0 0 0 0 53 55 1 0 0 0 0 54 56 1 0 0 0 0 56 58 1 0 0 0 0 57 59 1 0 0 0 0 57 60 1 0 0 0 0 58 61 2 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 62 63 1 0 0 0 0 M END > BMDB0005445 > bmdb > CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-32-35-38-41-44-47-50-56(59)62-53-54(52-61-55(58)49-46-43-40-37-34-31-24-21-18-15-12-9-6-3)63-57(60)51-48-45-42-39-36-33-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m1/s1 > SZYBCITYDACFEY-YJXCAZQISA-N > C57H102O6 > 883.4162 > 882.767640996 > 3 > 115.98615023625544 > 0 > 0 > 0 > 0 > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (11Z)-icos-11-enoate > 10.78 > 20.143873047666673 > -8.14 > 0 > 0 > 0 > -6.565867985366706 > 78.9 > 273.3627 > 52 > 0 > 6.44e-06 g/l > (2S)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propyl (11Z)-icos-11-enoate > 0 > BMDB0005445 > TG(16:1(9Z)/18:2(9Z,12Z)/20:1(11Z))[iso6] > 1-palmitoleoyl-2-linoleoyl-3-eicosenoyl-glycerol; TAG(16:1/18:2/20:1); TAG(16:1n7/18:2n6/20:1n9); TAG(16:1w7/18:2w6/20:1w9); TAG(54:4); TG(16:1/18:2/20:1); TG(16:1n7/18:2n6/20:1n9); TG(16:1w7/18:2w6/20:1w9); TG(54:4); Tracylglycerol(16:1/18:2/20:1); Tracylglycerol(16:1n7/18:2n6/20:1n9); Tracylglycerol(16:1w7/18:2w6/20:1w9); Tracylglycerol(54:4); Triacylglycerol; Triglyceride $$$$