Mrv1652304052014272D 71 70 0 0 1 0 999 V2000 25.5779 12.6192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1574 -9.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2308 -9.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1583 12.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3750 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.4484 -8.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9406 11.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1730 -8.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8681 -7.9873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5210 10.6507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3906 -7.5685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0857 -7.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3034 9.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1886 -7.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5054 -6.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8837 9.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4062 -6.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7230 -5.8094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.6661 8.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2042 -6.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1427 -5.2230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8681 8.2633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4218 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3603 -4.4272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2877 8.8497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2198 -5.3487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4898 8.6403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4374 -4.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2721 7.8445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2354 -4.3435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4742 7.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4530 -3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2565 6.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2510 -3.3383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7799 -3.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8369 6.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4687 -2.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6192 5.4572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2666 -2.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9976 -3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1996 4.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4843 -1.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4172 -2.4587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9976 5.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2822 -1.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6349 -1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5779 4.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4999 -0.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0545 -1.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3603 3.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2979 -0.3227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2721 -0.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5467 2.4835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5311 1.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3291 1.6877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 24.5623 3.4887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5155 0.4731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6918 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9820 4.0750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9351 1.0594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8938 0.0961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3447 2.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3135 0.6825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9094 1.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5054 9.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9094 9.2266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8938 8.2214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4586 6.6299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8213 5.2477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7799 4.2844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7487 2.2741 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 1 0 0 0 0 29 27 1 0 0 0 0 30 28 1 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 34 32 1 0 0 0 0 35 24 1 0 0 0 0 36 33 1 0 0 0 0 37 34 1 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 35 1 0 0 0 0 41 38 2 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 52 49 1 0 0 0 0 55 53 1 0 0 0 0 55 54 1 0 0 0 0 56 50 1 0 0 0 0 57 51 1 0 0 0 0 58 52 1 0 0 0 0 59 56 2 0 0 0 0 60 57 2 0 0 0 0 61 58 2 0 0 0 0 62 53 1 0 0 0 0 62 56 1 0 0 0 0 63 54 1 0 0 0 0 63 57 1 0 0 0 0 55 64 1 6 0 0 0 64 58 1 0 0 0 0 65 25 1 0 0 0 0 66 27 1 0 0 0 0 67 31 1 0 0 0 0 68 33 1 0 0 0 0 69 38 1 0 0 0 0 70 41 1 0 0 0 0 55 71 1 6 0 0 0 M END > BMDB0099901 > bmdb > [H]\C(CCCCCCCC)=C(/[H])C\C([H])=C(\[H])CC([H])=C([H])CCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C58H106O6/c1-4-7-10-13-16-19-22-25-27-29-31-33-36-38-41-44-47-50-56(59)62-53-55(64-58(61)52-49-46-43-40-35-24-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-28-26-23-20-17-14-11-8-5-2/h25,27,31,33,38,41,55H,4-24,26,28-30,32,34-37,39-40,42-54H2,1-3H3/b27-25-,33-31-,41-38-/t55-/m1/s1 > ASJDYPQIFWQJPP-DFBVFTRISA-N > C58H106O6 > 899.48 > 898.798941133 > 3 > 170 > 120.60381223228228 > 0 > 0 > 0 > 0 > (2S)-3-(icosanoyloxy)-2-(pentadecanoyloxy)propyl (8Z,11Z)-icosa-5,8,11-trienoate > 10.87 > 20.95036336933333 > -8.17 > 0 > 0 > 0 > -6.56590758366778 > 78.9 > 276.8471 > 54 > 0 > 6.07e-06 g/l > (2S)-3-(icosanoyloxy)-2-(pentadecanoyloxy)propyl (8Z,11Z)-icosa-5,8,11-trienoate > 0 > BMDB0099901 > TG(20:0/15:0/20:3(5Z,8Z,11Z)) $$$$