Mrv1572004261616582D 113112 0 0 1 0 999 V2000 12.0167 -16.9229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8654 1.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0105 -0.3917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2310 -0.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4741 -16.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4080 1.8265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6446 0.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7736 -0.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1082 -15.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5847 1.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8213 0.4005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9503 -0.7086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5656 -14.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1273 2.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4553 1.1399 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 12.1997 -14.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 2.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6320 1.1927 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 12.6571 -13.3843 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 14.2122 -2.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2912 -12.6448 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 13.3889 -1.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7486 -11.9582 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 12.9315 -2.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3827 -11.2188 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 12.8401 -10.5322 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 12.1082 -2.6100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4741 -9.7928 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 4.9729 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6508 -9.7400 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 11.6508 -3.2966 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 11.2849 -9.0006 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 10.8275 -3.2437 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 10.4616 -8.9478 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 10.3701 -3.9303 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 10.0957 -8.2084 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 9.5468 -3.8775 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 9.2724 -8.1556 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 9.0894 -4.5641 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 8.9065 -7.4161 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 8.2661 -4.5113 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 3.3263 -4.1944 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 6.8939 -6.5711 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 5.7047 -5.7789 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 2.5030 -4.1416 0.0000 C 0 0 0 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 -0.6073 -1.0783 0.0000 C 0 0 2 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 -2.6198 -0.2333 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 0.6734 -0.4445 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 7.6258 -8.0499 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 8.1746 -5.9373 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 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 1.6872 -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 7.7173 -6.6239 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 3.6922 -4.9338 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 5.3388 -5.0395 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 6.9854 -5.1451 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 4.5155 -4.9866 0.0000 P 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 -10.2126 3.8335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7235 2.6187 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 13.0230 -1.2368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2974 -3.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5594 -11.1660 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 13.6634 -10.5851 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 2.9604 -3.4550 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 -1.0647 -1.7649 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 1 0 0 0 0 26 22 2 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 35 2 0 0 0 0 39 32 1 0 0 0 0 40 36 1 0 0 0 0 41 37 1 0 0 0 0 42 38 1 0 0 0 0 43 40 1 0 0 0 0 44 41 1 0 0 0 0 45 39 1 0 0 0 0 46 42 1 0 0 0 0 47 43 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 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 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 73 67 1 0 0 0 0 73 68 1 0 0 0 0 74 69 1 0 0 0 0 74 71 1 0 0 0 0 75 70 1 0 0 0 0 75 72 1 0 0 0 0 76 63 1 0 0 0 0 77 64 1 0 0 0 0 78 65 1 0 0 0 0 79 66 1 0 0 0 0 80 73 1 0 0 0 0 81 76 2 0 0 0 0 82 77 2 0 0 0 0 83 78 2 0 0 0 0 84 79 2 0 0 0 0 89 69 1 0 0 0 0 89 76 1 0 0 0 0 90 70 1 0 0 0 0 90 77 1 0 0 0 0 91 67 1 0 0 0 0 92 68 1 0 0 0 0 93 71 1 0 0 0 0 94 72 1 0 0 0 0 74 95 1 1 0 0 0 95 78 1 0 0 0 0 75 96 1 6 0 0 0 96 79 1 0 0 0 0 97 85 1 0 0 0 0 97 86 2 0 0 0 0 97 91 1 0 0 0 0 97 93 1 0 0 0 0 98 87 1 0 0 0 0 98 88 2 0 0 0 0 98 92 1 0 0 0 0 98 94 1 0 0 0 0 99 22 1 0 0 0 0 100 23 1 0 0 0 0 101 26 1 0 0 0 0 102 27 1 0 0 0 0 103 28 1 0 0 0 0 104 32 1 0 0 0 0 105 33 1 0 0 0 0 106 34 1 0 0 0 0 107 35 1 0 0 0 0 108 36 1 0 0 0 0 109 37 1 0 0 0 0 110 38 1 0 0 0 0 111 73 1 0 0 0 0 74112 1 1 0 0 0 75113 1 6 0 0 0 M END > CHEM039519 > chemdb > [H]\C(CCCCCC)=C(\[H])CCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C([H])=C(/[H])CCCCCCCC)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/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-WBLDXWKUSA-N > C79H142O17P2 > 1425.936 > 1424.972227108 > 9 > 240 > 169.3082051098563 > 0 > 3 > 0 > 0 > [(2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy][3-({[(2R)-2-[(9E)-hexadec-9-enoyloxy]-3-[(9E)-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 > 236.9499999999999 > 404.4072999999997 > 78 > 0 > 7.03e-05 g/l > (2R)-2,3-bis[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy(3-{[(2R)-2-[(9E)-hexadec-9-enoyloxy]-3-[(9E)-octadec-9-enoyloxy]propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy)phosphinic acid > 0 > CL(18:2(9Z,12Z)/18:2(9Z,12Z)/18:1(9Z)/16:1(9Z)) $$$$