Mrv1572004261617232D 127126 0 0 1 0 999 V2000 1.3494 18.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6248 4.2774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 -0.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1905 10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 17.8101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1330 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 0.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8627 9.9554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0381 17.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3135 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3494 0.4920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0431 9.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 17.2423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8217 3.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7153 9.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 17.3369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0022 3.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6607 1.0598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8957 9.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 16.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5104 2.4793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 1.7223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5679 8.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5845 16.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6909 2.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 1.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 16.1066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1992 1.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 2.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4205 7.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7484 15.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3796 2.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2833 2.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 7.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2401 14.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 13.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0927 13.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7649 13.0784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0518 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7750 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 7.9681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9453 12.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2322 2.8579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4536 13.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2897 7.8735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9044 3.6150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3659 13.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 3.4257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 8.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0849 3.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8577 14.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9058 3.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 8.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7570 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6772 14.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3976 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 9.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9375 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0050 13.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2171 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3329 9.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4457 3.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 13.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 4.5613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8246 9.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6262 3.9935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 12.5106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5284 4.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6442 9.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 8.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5615 9.0091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1510 5.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 11.5642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0036 6.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2667 10.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3810 8.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3314 5.6969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4472 10.8071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2984 4.7506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9720 12.4159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0201 5.1291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 10.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8728 9.5769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7901 5.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4637 13.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6923 5.8862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8081 10.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0992 6.9779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6133 7.6335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3195 9.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5087 10.6804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4788 4.8452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 11.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5284 8.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2337 9.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1841 6.5486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5946 9.9554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8397 5.0345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9554 10.1447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8562 7.3057 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.4141 9.8608 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 15.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8383 1.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 7.5896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9123 17.5262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3631 3.3311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2998 0.8706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 8.8198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1359 3.0472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9288 15.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8879 1.3437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2732 6.5486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0597 14.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6010 14.4979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2566 12.4159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5435 3.4257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4371 8.7252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7814 14.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 12.7945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1690 14.7818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5133 12.6998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8893 8.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8232 6.3593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9389 11.4696 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 1 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 2 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 37 1 0 0 0 0 39 38 1 0 0 0 0 40 39 2 0 0 0 0 41 34 2 0 0 0 0 42 35 1 0 0 0 0 43 36 2 0 0 0 0 44 40 1 0 0 0 0 45 41 1 0 0 0 0 46 44 1 0 0 0 0 47 42 1 0 0 0 0 48 43 1 0 0 0 0 49 45 1 0 0 0 0 50 46 2 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 1 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 2 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 24 1 0 0 0 0 108 25 1 0 0 0 0 109 26 1 0 0 0 0 110 27 1 0 0 0 0 111 28 1 0 0 0 0 112 31 1 0 0 0 0 113 33 1 0 0 0 0 114 34 1 0 0 0 0 115 36 1 0 0 0 0 116 37 1 0 0 0 0 117 39 1 0 0 0 0 118 40 1 0 0 0 0 119 41 1 0 0 0 0 120 43 1 0 0 0 0 121 46 1 0 0 0 0 122 50 1 0 0 0 0 123 58 1 0 0 0 0 124 62 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 > CHEM039561 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])C\C([H])=C(/[H])CCCCC)COP(O)(=O)OCC([H])(O)COP(O)(=O)OC[C@@]([H])(COC(=O)CC\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\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/c1-5-9-13-17-21-25-29-33-37-38-39-40-44-46-50-54-58-62-66-70-83(88)96-76-81(102-85(90)72-68-64-60-56-52-48-43-36-32-28-24-20-16-12-8-4)78-100-104(93,94)98-74-79(86)73-97-103(91,92)99-77-80(101-84(89)71-67-63-59-55-51-47-42-35-31-27-23-19-15-11-7-3)75-95-82(87)69-65-61-57-53-49-45-41-34-30-26-22-18-14-10-6-2/h21-22,24-28,31,33-34,36-37,39-41,43,46,50,58,62,79-81,86H,5-20,23,29-30,32,35,38,42,44-45,47-49,51-57,59-61,63-78H2,1-4H3,(H,91,92)(H,93,94)/b25-21+,26-22+,28-24+,31-27+,37-33+,40-39+,41-34+,43-36+,50-46+,62-58+/t79?,80-,81-/m1/s1 > BATPCGFFBNNDTD-RHOHKUGJSA-N > C85H146O17P2 > 1502.034 > 1501.003527237 > 9 > 250 > 177.3910362130468 > 0 > 3 > 0 > 0 > [(2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy][2-hydroxy-3-({hydroxy[(2R)-2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphoryl}oxy)propoxy]phosphinic acid > 9.28 > 25.428724474666666 > -7.28 > 0 > 0 > -2 > 2.191804358215197 > 1.5897376143163378 > -3.4105029523385797 > 236.9499999999999 > 436.47969999999964 > 80 > 0 > 7.91e-05 g/l > (2R)-3-[(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoyloxy]-2-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(2-hydroxy-3-{[hydroxy((2R)-2-[(11E)-octadec-11-enoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphoryl]oxy}propoxy)phosphinic acid > 0 > CL(22:5(4Z,7Z,10Z,13Z,16Z)/18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(11Z)) $$$$