Mrv0541 02241200362D 101100 0 0 1 0 999 V2000 26.8270 -10.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2452 -9.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.7726 -8.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2996 -11.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1908 -7.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0721 -8.8503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4107 -8.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.5066 -5.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5455 -6.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5842 -5.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4678 -6.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6230 -6.5045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7394 -7.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3263 -7.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.6941 -6.0990 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.8227 -6.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6941 -4.8027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7878 -10.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8267 -11.0568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8654 -10.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7490 -11.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9042 -11.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9927 -11.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5795 -11.9434 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9753 -10.5834 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.9753 -9.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5558 -11.6399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7624 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4769 -6.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1914 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9059 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6203 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3349 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0493 -6.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7638 -6.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4783 -6.0920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1927 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9072 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6217 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3362 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0507 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7651 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4796 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1941 -6.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9085 -6.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9085 -5.2670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8789 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5933 -7.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3078 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0223 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7367 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4513 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1657 -7.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8802 -7.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5947 -7.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3092 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0236 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7381 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4526 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1671 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8816 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5960 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3105 -7.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0250 -7.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0250 -8.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5612 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2756 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4190 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1335 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5624 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2769 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9914 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7058 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4203 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1348 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8492 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5637 -11.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2782 -12.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2782 -13.1386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0436 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7581 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4726 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9015 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6160 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3305 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0450 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7595 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4739 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1884 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9029 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6174 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3319 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0463 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7608 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4753 -11.0568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1897 -10.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1897 -9.8193 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 48 47 1 0 0 0 0 49 48 1 0 0 0 0 50 49 1 0 0 0 0 51 50 1 0 0 0 0 52 51 1 0 0 0 0 53 52 2 0 0 0 0 54 53 1 0 0 0 0 55 54 1 0 0 0 0 56 55 2 0 0 0 0 57 56 1 0 0 0 0 58 57 1 0 0 0 0 59 58 1 0 0 0 0 60 59 1 0 0 0 0 61 60 1 0 0 0 0 62 61 1 0 0 0 0 63 62 1 0 0 0 0 64 63 1 0 0 0 0 65 64 2 0 0 0 0 13 64 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 23 1 0 0 0 0 81 82 2 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 > BMDB0010241 > bmdb > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C79H142O17P2/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/h22-23,26-28,32-38,73-75,80H,5-21,24-25,29-31,39-72H2,1-4H3,(H,85,86)(H,87,88)/b26-22-,27-23-,32-28-,36-33-,37-34-,38-35-/t73-,74-,75-/m1/s1 > MEUXJRIQACZORV-NZWJREGYSA-N > C79H142O17P2 > 1425.9101 > 1424.972226142 > 9 > 168.78591955459905 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy][3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.19 > 24.208999111333327 > -7.31 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 404.40729999999996 > 78 > 0 > 7.03e-05 g/l > (2R)-2,3-bis[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy(3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > BMDB0010241 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z)) $$$$