Mrv1652303302021292D 70 69 0 0 1 0 999 V2000 11.5285 -5.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4549 -19.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3105 -6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9625 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2795 -19.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.4859 -6.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7871 -6.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7135 -20.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0952 -7.1569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2211 -7.1068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5381 -20.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2706 -7.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0457 -7.0817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9287 -19.4351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.8800 -7.9086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4798 -7.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7534 -19.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0554 -7.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3044 -7.7583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1440 -18.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6648 -8.6604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 -8.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7100 -17.9818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8402 -8.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5630 -8.4348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1006 -17.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9970 -9.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8216 -9.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6666 -16.5535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2556 -9.8130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4496 -9.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0803 -9.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8419 -16.5786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6249 -9.4371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5143 -10.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4079 -15.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2343 -10.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3389 -10.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5833 -15.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4097 -10.1889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7729 -11.1661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1493 -15.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0191 -10.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5975 -11.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3247 -15.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1945 -10.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0315 -11.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8907 -14.5238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8039 -11.6673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8562 -11.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0661 -14.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7640 -12.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5488 -13.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3734 -13.1707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 26.9793 -11.6923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2902 -12.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6320 -13.8473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5452 -10.9907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8996 -13.2459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0227 -13.1206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5886 -12.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1148 -12.4942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8074 -13.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.3229 -20.9135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.9721 -20.8634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.1874 -20.1117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9686 -18.6583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.9252 -17.2301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 32.0572 -15.8268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9394 -12.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 4 1 0 0 0 0 8 5 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 8 2 0 0 0 0 12 9 1 0 0 0 0 13 10 1 0 0 0 0 14 11 1 0 0 0 0 15 12 1 0 0 0 0 16 13 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 19 16 1 0 0 0 0 20 17 2 0 0 0 0 21 18 1 0 0 0 0 22 19 1 0 0 0 0 23 20 1 0 0 0 0 24 21 1 0 0 0 0 25 22 1 0 0 0 0 26 23 1 0 0 0 0 27 25 1 0 0 0 0 28 27 1 0 0 0 0 29 26 2 0 0 0 0 30 28 1 0 0 0 0 31 24 1 0 0 0 0 32 30 1 0 0 0 0 33 29 1 0 0 0 0 34 31 1 0 0 0 0 35 32 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 42 1 0 0 0 0 46 43 1 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 46 1 0 0 0 0 50 47 1 0 0 0 0 51 48 1 0 0 0 0 54 52 1 0 0 0 0 54 53 1 0 0 0 0 55 49 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 55 2 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 52 1 0 0 0 0 61 55 1 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 54 63 1 6 0 0 0 63 57 1 0 0 0 0 64 8 1 0 0 0 0 65 11 1 0 0 0 0 66 17 1 0 0 0 0 67 20 1 0 0 0 0 68 26 1 0 0 0 0 69 29 1 0 0 0 0 54 70 1 6 0 0 0 M END > CDB002339 > CDB > [H]\C(CC)=C(/[H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC > InChI=1S/C57H104O6/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/h8,11,17,20,26,29,54H,4-7,9-10,12-16,18-19,21-25,27-28,30-53H2,1-3H3/b11-8-,20-17-,29-26-/t54-/m1/s1 > QMOIIDCAFLCLKL-DXRFALFFSA-N > C57H104O6 > 885.453 > 884.783291069 > 3 > 167 > 117.51652556916915 > 0 > 0 > 0 > 0 > (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl icosanoate > 10.85 > 20.505794704333333 > -8.15 > 0 > 0 > 0 > -6.565867985366683 > 78.9 > 272.24609999999996 > 53 > 0 > 6.28e-06 g/l > (2R)-3-(hexadecanoyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl icosanoate > 0 > CDB002339 > TG(20:0/18:3(9Z,12Z,15Z)/16:0) $$$$