Mrv1572004261617152D 127126 0 0 1 0 999 V2000 3.8751 -8.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4265 -4.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0296 6.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 5.4708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3325 -7.8387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0606 -3.7719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6637 5.9461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4491 4.7842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1559 -7.8915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2373 -3.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1211 5.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 4.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6132 -7.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8714 -2.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7552 4.5201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3576 3.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4366 -7.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0481 -2.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2126 3.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7235 2.6187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8025 -7.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6822 -2.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8466 3.0941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2661 1.9322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3451 -8.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8589 -2.1346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0233 3.0413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 1.9850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7110 -9.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4929 -1.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5659 3.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0769 2.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5343 -9.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6696 -1.3424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7426 3.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2536 2.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9002 -10.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2122 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7235 -10.2682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3889 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3767 2.9356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7962 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 -11.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9315 -2.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5534 2.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9127 -11.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1082 -2.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1875 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -10.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 1.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -3.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3642 2.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0042 -9.6344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 1.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8275 -3.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9983 1.3512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4616 -8.9478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2348 0.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 -3.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1750 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 -8.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4115 0.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5468 -3.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8091 0.5590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2724 -8.1556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 0.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0894 -4.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 0.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9065 -7.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1308 0.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2661 -4.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 -3.4022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3263 -4.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4306 -1.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8939 -6.5711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2414 -1.8177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 -5.7789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5030 -4.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6073 -1.0783 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5280 -5.8317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6198 -0.2333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0832 -7.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -0.4445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -5.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 -4.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0772 -0.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6258 -8.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0393 -1.1839 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1746 -5.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -2.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2084 -2.9759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5683 -4.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4627 -5.8099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 -0.2861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7173 -6.6239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3137 -3.3494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -4.9338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -1.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -5.0395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1499 -0.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 -5.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -2.6100 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5155 -4.9866 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2599 -7.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1396 -1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 2.4075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 1.1927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5218 -8.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4015 -2.8212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6574 2.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9854 1.2984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9917 -8.7893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3037 -0.6030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2852 4.3617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 3.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4428 -10.9019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5781 -2.7684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8341 2.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1621 1.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 -11.6942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2787 -11.7998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1809 -9.5816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2849 -9.0006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -3.4550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0647 -1.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0706 -6.5183 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 1 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 2 0 0 0 0 27 23 2 0 0 0 0 28 24 2 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 1 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 32 1 0 0 0 0 37 33 2 0 0 0 0 38 34 2 0 0 0 0 39 37 1 0 0 0 0 40 38 1 0 0 0 0 41 35 2 0 0 0 0 42 36 2 0 0 0 0 43 39 1 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 43 2 0 0 0 0 47 42 1 0 0 0 0 48 44 1 0 0 0 0 49 45 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 71 67 1 0 0 0 0 72 68 1 0 0 0 0 79 73 1 0 0 0 0 79 74 1 0 0 0 0 80 75 1 0 0 0 0 80 77 1 0 0 0 0 81 76 1 0 0 0 0 81 78 1 0 0 0 0 82 69 1 0 0 0 0 83 70 1 0 0 0 0 84 71 1 0 0 0 0 85 72 1 0 0 0 0 86 79 1 0 0 0 0 87 82 2 0 0 0 0 88 83 2 0 0 0 0 89 84 2 0 0 0 0 90 85 2 0 0 0 0 95 75 1 0 0 0 0 95 82 1 0 0 0 0 96 76 1 0 0 0 0 96 83 1 0 0 0 0 97 73 1 0 0 0 0 98 74 1 0 0 0 0 99 77 1 0 0 0 0 100 78 1 0 0 0 0 80101 1 6 0 0 0 101 84 1 0 0 0 0 81102 1 1 0 0 0 102 85 1 0 0 0 0 103 91 1 0 0 0 0 103 92 2 0 0 0 0 103 97 1 0 0 0 0 103 99 1 0 0 0 0 104 93 1 0 0 0 0 104 94 2 0 0 0 0 104 98 1 0 0 0 0 104100 1 0 0 0 0 105 21 1 0 0 0 0 106 22 1 0 0 0 0 107 23 1 0 0 0 0 108 24 1 0 0 0 0 109 25 1 0 0 0 0 110 26 1 0 0 0 0 111 27 1 0 0 0 0 112 28 1 0 0 0 0 113 33 1 0 0 0 0 114 34 1 0 0 0 0 115 35 1 0 0 0 0 116 36 1 0 0 0 0 117 37 1 0 0 0 0 118 38 1 0 0 0 0 119 41 1 0 0 0 0 120 42 1 0 0 0 0 121 43 1 0 0 0 0 122 46 1 0 0 0 0 123 54 1 0 0 0 0 124 58 1 0 0 0 0 125 79 1 0 0 0 0 80126 1 6 0 0 0 81127 1 1 0 0 0 M END > CHEM039545 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCC\C([H])=C(/[H])C\C([H])=C(\[H])C\C([H])=C(/[H])CC([H])=C([H])CCCCC)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])C\C([H])=C(\[H])CCCCC > InChI=1S/C85H146O17P2/c1-5-9-13-17-21-25-29-33-37-39-43-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-44-40-38-34-30-26-22-18-14-10-6-2)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-36-32-28-24-20-16-12-8-4)75-95-82(87)69-65-61-57-53-49-45-41-35-31-27-23-19-15-11-7-3/h21-28,33-38,41-43,46,54,58,79-81,86H,5-20,29-32,39-40,44-45,47-53,55-57,59-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21+,26-22+,27-23-,28-24-,37-33+,38-34+,41-35+,42-36+,46-43-,58-54+/t79?,80-,81-/m1/s1 > SLFHGVWXYFMBGR-JVBOZJFGSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 174.159625259929 > 0 > 3 > 0 > 0 > [3-({[(2R)-2,3-bis[(9E,12Z)-octadeca-9,12-dienoyloxy]propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy]phosphinic acid > 9.25 > 25.428724474666666 > -7.26 > 0 > 0 > -2 > 2.191804358217161 > 1.589737614322165 > -3.4105029523385797 > 236.9499999999999 > 436.47969999999964 > 80 > 0 > 8.22e-05 g/l > 3-{[(2R)-2,3-bis[(9E,12Z)-octadeca-9,12-dienoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-2-[(11E,14E)-icosa-11,14-dienoyloxy]-3-[(5E,8Z,11E,14E)-icosa-5,8,11,14-tetraenoyloxy]propoxy)phosphinic acid > 0 > CL(20:4(5Z,8Z,11Z,14Z)/20:2(11Z,14Z)/18:2(9Z,12Z)/18:2(9Z,12Z)) $$$$