Mrv0541 02231220262D 65 64 0 0 1 0 999 V2000 18.6215 -8.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4779 -8.7232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1924 -9.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3359 -9.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 -7.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9069 -11.1982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9083 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6227 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1911 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1939 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4767 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9055 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3373 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4793 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6201 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0518 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0477 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7649 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7662 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0503 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9096 -6.2481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1897 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6241 -5.8357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -11.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9096 -7.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1897 -9.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0491 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6241 -5.0106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4754 -12.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1951 -7.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9043 -9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 -13.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0491 -13.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 -12.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4807 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6187 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3387 -4.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 -12.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1951 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0491 -14.4983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9069 -8.7232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4779 -12.0231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9043 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3359 -8.7232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7635 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1924 -8.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3387 -3.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7607 -13.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 -14.9107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4779 -11.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9069 -9.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1911 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1924 -10.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3345 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9055 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4767 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0531 -3.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 -13.6732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6201 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7621 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0477 -15.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -16.1482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 44 1 1 6 0 0 0 1 47 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 54 1 0 0 0 0 3 56 1 0 0 0 0 4 47 2 0 0 0 0 5 48 2 0 0 0 0 6 56 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 20 30 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 47 1 0 0 0 0 24 26 1 0 0 0 0 24 28 1 0 0 0 0 25 27 1 0 0 0 0 25 29 1 0 0 0 0 26 31 1 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 29 34 1 0 0 0 0 30 48 1 0 0 0 0 31 40 1 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 34 46 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 36 43 1 0 0 0 0 37 45 1 0 0 0 0 38 42 2 0 0 0 0 39 46 2 0 0 0 0 40 50 1 0 0 0 0 41 51 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 44 54 1 0 0 0 0 45 53 1 0 0 0 0 50 60 1 0 0 0 0 51 61 1 0 0 0 0 52 57 1 0 0 0 0 53 56 1 0 0 0 0 55 58 1 0 0 0 0 55 59 1 0 0 0 0 57 62 2 0 0 0 0 58 62 1 0 0 0 0 59 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 M END > BMDB0005442 > bmdb > CCCCCCCC\C=C/CCCCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C59H108O6/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-52-58(61)64-55-56(54-63-57(60)51-48-45-42-39-36-33-24-21-18-15-12-9-6-3)65-59(62)53-50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h21,24-28,56H,4-20,22-23,29-55H2,1-3H3/b24-21-,27-25-,28-26-/t56-/m1/s1 > OBZKXGCSGQZRJN-BIFPZKGTSA-N > C59H108O6 > 913.4852 > 912.814591188 > 3 > 121.05837565473306 > 0 > 0 > 0 > 0 > (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate > 10.79 > 21.394932034333337 > -8.18 > 0 > 0 > 0 > -6.565867985366684 > 78.9 > 281.44809999999995 > 55 > 0 > 6.05e-06 g/l > (2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-[(11Z)-icos-11-enoyloxy]propan-2-yl (11Z)-icos-11-enoate > 0 > BMDB0005442 > TG(16:1(9Z)/20:1(11Z)/20:1(11Z))[iso3] > 1-palmitoleoyl-2-eicosenoyl-3-eicosenoyl-glycerol; TAG(16:1/20:1/20:1); TAG(16:1n7/20:1n9/20:1n9); TAG(16:1w7/20:1w9/20:1w9); TAG(56:3); TG(16:1/20:1/20:1); TG(16:1n7/20:1n9/20:1n9); TG(16:1w7/20:1w9/20:1w9); TG(56:3); Tracylglycerol(16:1/20:1/20:1); Tracylglycerol(16:1n7/20:1n9/20:1n9); Tracylglycerol(16:1w7/20:1w9/20:1w9); Tracylglycerol(56:3); Triacylglycerol; Triglyceride $$$$