Mrv1652304062000482D 77 76 0 0 1 0 999 V2000 22.7290 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6568 -16.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6822 5.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0666 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9944 -15.5464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 4.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1612 0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -14.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4988 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -14.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1554 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5934 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 -13.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8178 2.9755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9310 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8588 -12.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7232 2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0256 2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 -12.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3856 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3632 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7105 -11.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2910 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4578 4.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3729 -12.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7953 4.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -11.9404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0383 4.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9436 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1866 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0919 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -11.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3349 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9817 -10.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2402 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0763 -9.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4832 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 0.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4139 -9.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3885 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5085 -8.6621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6315 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8588 -0.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8461 -8.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5368 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 -0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -8.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7797 -1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4266 -8.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6851 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0890 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5212 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9944 -3.0892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1300 -5.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9817 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -4.8922 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2783 -6.8591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -3.4170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6568 -3.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 -7.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4958 -3.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4139 -3.2531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3729 -6.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0763 -3.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5622 -4.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2149 4.4507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 -13.0877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8900 5.4342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7924 -12.4321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6441 -11.2847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 -9.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2656 -8.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1837 -7.6787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8871 -5.3839 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 1 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 1 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 2 0 0 0 0 28 26 2 0 0 0 0 29 27 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 28 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 37 35 2 0 0 0 0 38 36 1 0 0 0 0 39 24 1 0 0 0 0 40 37 1 0 0 0 0 41 38 1 0 0 0 0 42 40 1 0 0 0 0 43 41 1 0 0 0 0 44 39 1 0 0 0 0 45 42 2 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 52 49 1 0 0 0 0 53 50 1 0 0 0 0 54 51 1 0 0 0 0 55 52 1 0 0 0 0 56 53 1 0 0 0 0 59 57 1 0 0 0 0 59 58 1 0 0 0 0 60 54 1 0 0 0 0 61 55 1 0 0 0 0 62 56 1 0 0 0 0 63 60 2 0 0 0 0 64 61 2 0 0 0 0 65 62 2 0 0 0 0 66 57 1 0 0 0 0 66 60 1 0 0 0 0 67 58 1 0 0 0 0 67 61 1 0 0 0 0 59 68 1 1 0 0 0 68 62 1 0 0 0 0 69 25 1 0 0 0 0 70 26 1 0 0 0 0 71 27 1 0 0 0 0 72 28 1 0 0 0 0 73 35 1 0 0 0 0 74 37 1 0 0 0 0 75 42 1 0 0 0 0 76 45 1 0 0 0 0 59 77 1 1 0 0 0 M END > BMDB0104722 > bmdb > [H]\C(CCCCCCCC)=C(/[H])CCCCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCC([H])=C([H])C\C([H])=C(\[H])C\C([H])=C(\[H])CCCCCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C62H112O6/c1-4-7-10-13-16-19-22-25-27-29-30-31-32-34-36-38-41-43-46-49-52-55-61(64)67-58-59(68-62(65)56-53-50-47-44-39-24-21-18-15-12-9-6-3)57-66-60(63)54-51-48-45-42-40-37-35-33-28-26-23-20-17-14-11-8-5-2/h25-28,35,37,42,45,59H,4-24,29-34,36,38-41,43-44,46-58H2,1-3H3/b27-25-,28-26-,37-35-,45-42-/t59-/m0/s1 > PQWYADLYMTXVDN-DBGMXLFDSA-N > C62H112O6 > 953.572 > 952.845891326 > 3 > 180 > 127.58844348528108 > 0 > 0 > 0 > 0 > (2R)-3-[(8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 10.85 > 22.366716372666666 > -8.22 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 296.36769999999996 > 57 > 0 > 5.78e-06 g/l > (2R)-3-[(8Z,11Z)-icosa-5,8,11-trienoyloxy]-2-(pentadecanoyloxy)propyl (15Z)-tetracos-15-enoate > 0 > BMDB0104722 > TG(20:3(5Z,8Z,11Z)/15:0/24:1(15Z)) $$$$