CL(18:0/18:2(9Z,12Z)/20:1(11Z)/20:1(13Z)) Mrv1652303302023162D 107106 0 0 0 0 999 V2000 30.1121 -9.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5302 -8.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0577 -7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5847 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.4759 -6.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.3572 -8.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.6958 -8.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.7917 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8306 -5.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.8692 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7529 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9080 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0244 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6113 -6.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 29.9792 -5.3323 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.1078 -5.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.9792 -4.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0729 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1117 -10.2901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1504 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0340 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1892 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2777 -11.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8646 -11.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.2604 -9.8167 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.2604 -8.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8409 -10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1936 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1936 -4.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4795 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7654 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0512 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3371 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6230 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9087 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1947 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4804 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7664 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0523 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3382 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6240 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9099 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1958 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4817 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7676 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0534 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3100 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3100 -7.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5959 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8818 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1677 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4536 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7395 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0254 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3112 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5970 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7721 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0580 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3439 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5188 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8047 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0906 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3764 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6623 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9482 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4748 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4748 -9.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7607 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0465 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3323 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6183 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9042 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4760 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7617 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0476 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3335 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5085 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7944 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0802 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3661 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6520 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2238 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5096 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7955 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5632 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5632 -12.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8491 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1350 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4208 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7067 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9926 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2785 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5643 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8502 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1361 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4220 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7079 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9937 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4546 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7405 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3122 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5980 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8839 -11.5467 0.0000 C 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 12 28 1 0 0 0 0 22 66 1 0 0 0 0 13 47 1 0 0 0 0 23 87 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 2 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 66 67 2 0 0 0 0 66 68 1 0 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 76 77 1 0 0 0 0 77 78 2 0 0 0 0 78 79 1 0 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 87 88 2 0 0 0 0 87 89 1 0 0 0 0 89 90 1 0 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 99100 1 0 0 0 0 100101 2 0 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 M END > CDB003877 > CDB > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC\C=C/CCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C85H158O17P2/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/h24,26,28,30,33,36-37,42,79-81,86H,5-23,25,27,29,31-32,34-35,38-41,43-78H2,1-4H3,(H,91,92)(H,93,94)/b28-24-,30-26-,37-33-,42-36-/t79-,80+,81+/m0/s1 > LSXMMFKMMSRWSE-LKFSFYGZSA-N > C85H158O17P2 > 1514.13 > 1513.097427624 > 9 > 262 > 183.27788083096874 > 0 > 3 > 0 > 0 > [2-hydroxy-3-({hydroxy[(2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(13Z)-icos-13-enoyloxy]propoxy]phosphoryl}oxy)propoxy][(2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy]phosphinic acid > 9.16 > 27.600254414666665 > -7.28 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 429.78009999999995 > 86 > 0 > 7.92e-05 g/l > 2-hydroxy-3-{[hydroxy((2R)-3-[(11Z)-icos-11-enoyloxy]-2-[(13Z)-icos-13-enoyloxy]propoxy)phosphoryl]oxy}propoxy((2R)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]-3-(octadecanoyloxy)propoxy)phosphinic acid > 0 > CDB003877 > CL(18:0/18:2(9Z,12Z)/20:1(11Z)/20:1(13Z)) $$$$