Mrv0541 02241200342D 101100 0 0 1 0 999 V2000 25.9181 -9.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3363 -8.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8637 -7.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3908 -10.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.2819 -6.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1632 -8.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5019 -8.3542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.5978 -5.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6366 -6.0850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6754 -5.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5589 -6.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7141 -6.0850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8306 -6.9013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4174 -6.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.7853 -5.6795 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.9138 -6.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7853 -4.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8789 -10.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9178 -10.6373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9566 -10.0824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8401 -10.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9953 -10.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0838 -11.4816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6706 -11.5239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0665 -10.1639 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.0665 -9.3389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6469 -11.2204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8536 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5680 -5.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2825 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7114 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4260 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1404 -5.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8549 -6.0850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5694 -5.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2839 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9983 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7128 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4273 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1418 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8563 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5707 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2852 -6.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9997 -5.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9997 -4.8475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6523 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3667 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0812 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7957 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5102 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2246 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9391 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6536 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3680 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0825 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7970 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2259 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9404 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6548 -11.4816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3693 -11.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3693 -12.7191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9700 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6845 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3989 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1134 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8279 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5424 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2569 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9713 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6858 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4003 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1148 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8292 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5438 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2582 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9727 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6872 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4016 -6.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1161 -7.3138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1161 -8.1389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1348 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8492 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5637 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2782 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9926 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7072 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4216 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1361 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8506 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5650 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2795 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9940 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7085 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1375 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8519 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5664 -10.6373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2809 -10.2248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2809 -9.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 5 3 1 0 0 0 0 2 6 1 1 0 0 0 2 7 1 6 0 0 0 9 8 1 0 0 0 0 10 9 1 0 0 0 0 11 8 1 0 0 0 0 12 10 1 0 0 0 0 9 13 1 6 0 0 0 9 14 1 1 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 5 1 0 0 0 0 15 11 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 18 1 0 0 0 0 22 20 1 0 0 0 0 19 23 1 6 0 0 0 19 24 1 1 0 0 0 25 4 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 21 1 0 0 0 0 29 28 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 32 1 0 0 0 0 34 33 2 0 0 0 0 35 34 1 0 0 0 0 36 35 1 0 0 0 0 37 36 2 0 0 0 0 38 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 45 44 1 0 0 0 0 46 45 2 0 0 0 0 12 45 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 23 1 0 0 0 0 62 63 2 0 0 0 0 65 64 1 0 0 0 0 66 65 1 0 0 0 0 67 66 1 0 0 0 0 68 67 1 0 0 0 0 69 68 1 0 0 0 0 70 69 1 0 0 0 0 71 70 2 0 0 0 0 72 71 1 0 0 0 0 73 72 1 0 0 0 0 74 73 1 0 0 0 0 75 74 1 0 0 0 0 76 75 1 0 0 0 0 77 76 1 0 0 0 0 78 77 1 0 0 0 0 79 78 1 0 0 0 0 80 79 1 0 0 0 0 81 80 1 0 0 0 0 82 81 2 0 0 0 0 13 81 1 0 0 0 0 84 83 1 0 0 0 0 85 84 1 0 0 0 0 86 85 1 0 0 0 0 87 86 1 0 0 0 0 88 87 1 0 0 0 0 89 88 1 0 0 0 0 90 89 1 0 0 0 0 91 90 1 0 0 0 0 92 91 2 0 0 0 0 93 92 1 0 0 0 0 94 93 1 0 0 0 0 95 94 1 0 0 0 0 96 95 1 0 0 0 0 97 96 1 0 0 0 0 98 97 1 0 0 0 0 99 98 1 0 0 0 0 100 99 1 0 0 0 0 101100 2 0 0 0 0 22100 1 0 0 0 0 M END > BMDB0010230 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC > InChI=1S/C79H146O17P2/c1-5-9-13-17-21-25-29-33-36-40-43-47-51-55-59-63-76(81)89-69-74(95-78(83)65-61-57-53-49-45-39-32-28-24-20-16-12-8-4)71-93-97(85,86)91-67-73(80)68-92-98(87,88)94-72-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)70-90-77(82)64-60-56-52-48-44-41-37-34-30-26-22-18-14-10-6-2/h22,26-27,31,33-34,36-37,73-75,80H,5-21,23-25,28-30,32,35,38-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,31-27-,36-33-,37-34-/t73-,74-,75-/m1/s1 > DFZYFBOIJNTFAC-OPZXVEKYSA-N > C79H146O17P2 > 1429.9419 > 1429.00352627 > 9 > 171.1848711426626 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.07 > 24.932842424666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 402.17409999999995 > 80 > 0 > 7.25e-05 g/l > 3-{[(2R)-2-(hexadecanoyloxy)-3-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy(2R)-2-[(11Z)-octadec-11-enoyloxy]-3-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxyphosphinic acid > 0 > BMDB0010230 > CL(18:2(9Z,12Z)/18:1(11Z)/18:1(9Z)/16:0) $$$$