Mrv1652304062006022D 75 74 0 0 1 0 999 V2000 19.6061 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3602 -15.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3983 5.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2685 -0.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 -14.7268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4929 4.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1739 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5085 -13.9073 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 20.8363 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 -13.4155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3446 3.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7417 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9280 -13.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1017 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4041 2.4838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5905 -13.2516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1963 2.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3095 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4958 -12.4321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9534 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5524 3.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7388 -12.1043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0480 1.1725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4578 4.4507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6441 -11.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7007 4.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8871 -10.9569 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 18.2812 4.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -11.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6188 4.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4676 -11.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7134 3.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3729 -10.3012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0510 2.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8051 0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0354 -9.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1456 1.9921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9407 -8.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4832 1.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8998 0.0251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 -8.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5778 0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6568 -0.3027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5085 -7.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9154 0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7515 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1710 -7.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0100 -0.6305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5085 -1.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0763 -6.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3475 -1.1222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6032 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3066 -4.5644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8744 -3.2531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2119 -3.7448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7388 -5.8756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4422 -1.9418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3602 -2.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4958 -6.2035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1993 -2.2696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0227 -2.1057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6441 -5.0561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7797 -2.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4549 -3.4170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1612 2.1560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3475 -13.5795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9719 3.7951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1583 -11.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1202 4.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3066 -10.7930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6061 5.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7924 -10.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9690 -4.0726 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 2 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 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 28 1 0 0 0 0 32 30 1 0 0 0 0 33 31 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 24 1 0 0 0 0 38 35 1 0 0 0 0 39 36 1 0 0 0 0 40 38 1 0 0 0 0 41 39 1 0 0 0 0 42 37 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 53 50 1 0 0 0 0 54 51 1 0 0 0 0 57 55 1 0 0 0 0 57 56 1 0 0 0 0 58 52 1 0 0 0 0 59 53 1 0 0 0 0 60 54 1 0 0 0 0 61 58 2 0 0 0 0 62 59 2 0 0 0 0 63 60 2 0 0 0 0 64 55 1 0 0 0 0 64 58 1 0 0 0 0 65 56 1 0 0 0 0 65 59 1 0 0 0 0 57 66 1 1 0 0 0 66 60 1 0 0 0 0 67 16 1 0 0 0 0 68 17 1 0 0 0 0 69 19 1 0 0 0 0 70 20 1 0 0 0 0 71 25 1 0 0 0 0 72 26 1 0 0 0 0 73 27 1 0 0 0 0 74 28 1 0 0 0 0 57 75 1 1 0 0 0 M END > BMDB0106988 > bmdb > [H]\C(CCCCC)=C(/[H])C\C([H])=C(\[H])CCCCCCCCCCCC(=O)OC[C@]([H])(COC(=O)CCCCCCCCC\C([H])=C(\[H])C\C([H])=C(\[H])CCCCC)OC(=O)CCCCCCCCCCCCCC > InChI=1S/C60H108O6/c1-4-7-10-13-16-19-22-25-27-29-30-32-34-36-39-41-44-47-50-53-59(62)65-56-57(66-60(63)54-51-48-45-42-37-24-21-18-15-12-9-6-3)55-64-58(61)52-49-46-43-40-38-35-33-31-28-26-23-20-17-14-11-8-5-2/h16-17,19-20,25-28,57H,4-15,18,21-24,29-56H2,1-3H3/b19-16-,20-17-,27-25-,28-26-/t57-/m0/s1 > UHXVYNWMSQYBKC-UMRGSKBISA-N > C60H108O6 > 925.518 > 924.814591198 > 3 > 174 > 122.50740793894593 > 0 > 0 > 0 > 0 > (2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate > 10.81 > 21.47757904266667 > -8.16 > 0 > 0 > 0 > -6.565867985366662 > 78.9 > 287.1657 > 55 > 0 > 6.48e-06 g/l > (2R)-3-[(11Z,14Z)-icosa-11,14-dienoyloxy]-2-(pentadecanoyloxy)propyl (13Z,16Z)-docosa-13,16-dienoate > 0 > BMDB0106988 > TG(20:2n6/15:0/22:2(13Z,16Z)) $$$$