Mrv1572004261618562D 125124 0 0 1 0 999 V2000 17.7104 14.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7580 28.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8270 1.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1465 -1.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5337 14.1325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 27.4947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3696 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6039 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9911 14.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 26.8081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5463 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4272 -1.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8144 14.7662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0325 26.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0889 -0.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8846 -0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2718 15.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 25.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2656 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9059 16.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9410 24.6427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8996 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3633 16.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 23.9561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0763 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7994 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9974 17.6183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8495 23.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7104 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2568 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1741 17.6711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 22.5301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8871 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7167 16.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7580 21.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8934 17.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3007 21.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5212 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4360 16.3507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 20.3647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0801 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6979 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6127 16.4035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2092 19.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3320 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1553 15.7169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 18.9387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5087 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3320 15.7697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3608 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 18.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1428 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8746 15.0831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8182 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 17.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3194 3.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0513 15.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6415 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0262 16.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8621 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5939 14.4494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0989 3.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 16.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0387 3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7706 14.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9222 3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 15.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4773 8.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 9.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4836 4.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0325 13.1818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2944 5.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7518 12.5480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1114 9.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 4.6785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2092 13.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6728 3.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3132 13.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3796 4.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3007 14.6606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2881 9.0622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1302 4.5201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6791 13.0762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0137 4.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1240 14.6078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6465 6.4781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1253 7.2099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9737 11.5794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3469 10.6646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8495 3.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4899 13.8684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0200 7.5834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 10.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7518 6.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 11.8086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2029 3.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8433 13.9740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3859 6.8440 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.6603 11.1220 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.6252 15.5585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1803 14.0268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0826 16.2451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3570 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1866 16.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6189 -0.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9761 0.8758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8909 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8082 18.4105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5688 22.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4297 0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2593 16.2979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5814 21.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9786 2.7772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3832 15.5274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4899 20.3118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2468 17.1429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3859 19.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2944 18.3049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 17.4598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9347 8.9566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1177 5.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 12.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 0 6 2 1 0 0 0 0 7 3 1 0 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 8 1 0 0 0 0 13 9 2 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 16 12 1 0 0 0 0 17 13 1 0 0 0 0 18 14 1 0 0 0 0 19 15 1 0 0 0 0 20 16 1 0 0 0 0 21 17 1 0 0 0 0 22 18 1 0 0 0 0 23 19 1 0 0 0 0 24 20 1 0 0 0 0 25 21 2 0 0 0 0 26 22 1 0 0 0 0 27 23 2 0 0 0 0 28 24 1 0 0 0 0 29 25 1 0 0 0 0 30 26 1 0 0 0 0 31 27 1 0 0 0 0 32 28 2 0 0 0 0 33 29 1 0 0 0 0 34 30 1 0 0 0 0 35 31 1 0 0 0 0 36 33 2 0 0 0 0 37 34 2 0 0 0 0 38 36 1 0 0 0 0 39 37 1 0 0 0 0 40 35 2 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 43 32 1 0 0 0 0 44 40 1 0 0 0 0 45 41 2 0 0 0 0 46 42 2 0 0 0 0 47 44 1 0 0 0 0 48 45 1 0 0 0 0 49 43 1 0 0 0 0 50 46 1 0 0 0 0 51 47 1 0 0 0 0 52 48 1 0 0 0 0 53 49 1 0 0 0 0 54 50 1 0 0 0 0 55 51 1 0 0 0 0 56 52 1 0 0 0 0 57 53 1 0 0 0 0 58 54 2 0 0 0 0 59 55 1 0 0 0 0 60 56 1 0 0 0 0 61 57 1 0 0 0 0 62 58 1 0 0 0 0 63 59 1 0 0 0 0 64 60 1 0 0 0 0 65 61 1 0 0 0 0 66 62 1 0 0 0 0 67 63 1 0 0 0 0 68 64 1 0 0 0 0 69 65 1 0 0 0 0 70 66 1 0 0 0 0 77 71 1 0 0 0 0 77 72 1 0 0 0 0 78 73 1 0 0 0 0 78 75 1 0 0 0 0 79 74 1 0 0 0 0 79 76 1 0 0 0 0 80 67 1 0 0 0 0 81 68 1 0 0 0 0 82 69 1 0 0 0 0 83 70 1 0 0 0 0 84 77 1 0 0 0 0 85 80 2 0 0 0 0 86 81 2 0 0 0 0 87 82 2 0 0 0 0 88 83 2 0 0 0 0 93 73 1 0 0 0 0 93 80 1 0 0 0 0 94 74 1 0 0 0 0 94 81 1 0 0 0 0 95 71 1 0 0 0 0 96 72 1 0 0 0 0 97 75 1 0 0 0 0 98 76 1 0 0 0 0 78 99 1 6 0 0 0 99 82 1 0 0 0 0 79100 1 1 0 0 0 100 83 1 0 0 0 0 101 89 1 0 0 0 0 101 90 2 0 0 0 0 101 95 1 0 0 0 0 101 97 1 0 0 0 0 102 91 1 0 0 0 0 102 92 2 0 0 0 0 102 96 1 0 0 0 0 102 98 1 0 0 0 0 103 9 1 0 0 0 0 104 13 1 0 0 0 0 105 21 1 0 0 0 0 106 23 1 0 0 0 0 107 25 1 0 0 0 0 108 27 1 0 0 0 0 109 28 1 0 0 0 0 110 32 1 0 0 0 0 111 33 1 0 0 0 0 112 34 1 0 0 0 0 113 35 1 0 0 0 0 114 36 1 0 0 0 0 115 37 1 0 0 0 0 116 40 1 0 0 0 0 117 41 1 0 0 0 0 118 42 1 0 0 0 0 119 45 1 0 0 0 0 120 46 1 0 0 0 0 121 54 1 0 0 0 0 122 58 1 0 0 0 0 123 77 1 0 0 0 0 78124 1 6 0 0 0 79125 1 1 0 0 0 M END > CHEM039909 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])CC([H])=C([H])C\C([H])=C(/[H])CCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)OC(=O)CCCCCCC\C([H])=C(\[H])CCCCCC)OC(=O)CCC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCCC > InChI=1S/C83H142O17P2/c1-5-9-13-17-21-25-29-33-36-38-41-45-48-52-56-60-64-68-81(86)94-74-79(100-83(88)70-66-62-58-54-50-46-42-39-37-34-30-26-22-18-14-10-6-2)76-98-102(91,92)96-72-77(84)71-95-101(89,90)97-75-78(99-82(87)69-65-61-57-53-49-43-32-28-24-20-16-12-8-4)73-93-80(85)67-63-59-55-51-47-44-40-35-31-27-23-19-15-11-7-3/h9,13,21,23,25,27-28,32-37,40-42,45-46,54,58,77-79,84H,5-8,10-12,14-20,22,24,26,29-31,38-39,43-44,47-53,55-57,59-76H2,1-4H3,(H,89,90)(H,91,92)/b13-9+,25-21+,27-23+,32-28-,36-33+,37-34+,40-35+,45-41+,46-42+,58-54+/t77?,78-,79-/m1/s1 > NHLLXZNSQVSIFB-FADVNQFISA-N > C83H142O17P2 > 1473.98 > 1472.972227108 > 9 > 244 > 170.689385876746 > 0 > 3 > 0 > 0 > [3-({[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy]phosphinic acid > 9.20 > 24.53958714466667 > -7.26 > 0 > 0 > -2 > 2.1918043582171327 > 1.5897376143221367 > -3.4105029523385797 > 236.9499999999999 > 427.27769999999964 > 78 > 0 > 8.11e-05 g/l > 3-{[(2R)-2-[(9Z)-hexadec-9-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(5E,8E,11E)-icosa-5,8,11-trienoyloxy]-3-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]propoxy)phosphinic acid > 0 > CL(20:4(8Z,11Z,14Z,17Z)/20:3(5Z,8Z,11Z)/18:2(9Z,12Z)/16:1(9Z)) $$$$