Mrv0541 02241201152D 103102 0 0 1 0 999 V2000 26.0719 -8.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4901 -7.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0175 -6.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5445 -9.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4357 -5.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.3170 -6.8647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6556 -6.7881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7515 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7904 -4.5189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8291 -3.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7127 -4.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8679 -4.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9843 -5.3353 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5712 -5.3776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.9390 -4.1134 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 27.0676 -4.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9390 -2.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0327 -8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0716 -9.0712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1103 -8.5163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9939 -9.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1491 -9.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2376 -9.9155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8244 -9.9578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2202 -8.5978 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.2202 -7.7728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8007 -9.6543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3770 -10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0915 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8059 -10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5204 -9.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2349 -10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 -9.9155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6639 -10.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3783 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0928 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8073 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5217 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2362 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9507 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6652 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3797 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0941 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8086 -9.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5231 -10.3279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5231 -11.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2885 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0030 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7175 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1464 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8609 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5754 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2899 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0044 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7188 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4333 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1478 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8623 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5768 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2912 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0057 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7202 -9.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4346 -8.6587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4346 -7.8337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1238 -5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8382 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5527 -5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2672 -5.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9817 -5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6962 -5.3353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4107 -5.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1251 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8396 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5541 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2685 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9830 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6975 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4120 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1265 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8409 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5554 -5.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2699 -5.7477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2699 -6.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0073 -4.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7218 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4363 -4.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1508 -4.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8652 -4.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5798 -4.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2942 -4.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0087 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7232 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4376 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1521 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8666 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5811 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2956 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0100 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7245 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4390 -4.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1534 -4.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1534 -3.2814 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 1 0 0 0 0 35 34 2 0 0 0 0 36 35 1 0 0 0 0 37 36 1 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 23 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 1 0 0 0 0 54 53 2 0 0 0 0 55 54 1 0 0 0 0 56 55 1 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 22 64 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 1 0 0 0 0 72 71 1 0 0 0 0 73 72 2 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 1 0 0 0 0 83 82 1 0 0 0 0 84 83 2 0 0 0 0 13 83 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 1 0 0 0 0 102101 1 0 0 0 0 103102 2 0 0 0 0 12102 1 0 0 0 0 M END > BMDB0010690 > bmdb > CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@]([H])(COP(=O)(O)OCC(O)([H])COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC)OC(=O)CCCCCCCCC\C=C/CCCCCC > InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h25-32,75-77,82H,5-24,33-74H2,1-4H3,(H,87,88)(H,89,90)/b29-25-,30-26-,31-27-,32-28-/t76-,77-/m1/s1 > HSSSADMXQPKIEB-ZYVWMDQZSA-N > C81H150O17P2 > 1457.995 > 1457.034826398 > 9 > 176.16091303868006 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy][3-({[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy]phosphinic acid > 9.08 > 25.821979754666664 > -7.30 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 411.37609999999995 > 82 > 0 > 7.28e-05 g/l > (2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(3-{[(2R)-2,3-bis[(11Z)-octadec-11-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > BMDB0010690 > CL(18:1(11Z)/18:1(11Z)/18:1(11Z)/18:1(11Z)) $$$$