CL(16:0/18:0/18:1(9Z)/18:2(9Z,12Z)) Mrv1652303302022442D 101100 0 0 0 0 999 V2000 30.1550 -9.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.5732 -8.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1006 -7.3919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6276 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5188 -6.4467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4001 -8.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.7387 -8.0070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.8346 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8735 -5.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 25.9122 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7958 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9508 -5.7376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.0674 -6.5542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6543 -6.5965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 30.0221 -5.3323 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 31.1507 -5.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0221 -4.0359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1158 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1545 -10.2901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1934 -9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0770 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2322 -10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3206 -11.1342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9075 -11.1767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 28.3033 -9.8167 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 28.3033 -8.9916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.8838 -10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2365 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2365 -4.5539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5223 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8083 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0941 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3800 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6659 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9518 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2377 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5235 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8094 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0953 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3812 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6669 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9527 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2387 -5.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5246 -5.7385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3529 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3529 -7.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6388 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9246 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2106 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4965 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7824 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0683 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3542 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6400 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9259 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2118 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4976 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7835 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0694 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3552 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6412 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9271 -6.9666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2128 -6.5534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5177 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5177 -9.1062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8036 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0894 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3753 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6612 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9471 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2329 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5189 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8047 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9797 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2656 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5515 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8374 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1232 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4090 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6948 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9808 -10.2907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2667 -9.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6062 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6062 -12.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8921 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1780 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4637 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7496 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0355 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3214 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6073 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8931 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0681 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3539 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6399 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8149 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1007 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3866 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6725 -11.1337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9583 -11.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2443 -11.1337 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 64 1 0 0 0 0 13 45 1 0 0 0 0 23 83 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 45 46 2 0 0 0 0 45 47 1 0 0 0 0 47 48 1 0 0 0 0 48 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 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 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 64 65 2 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 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 2 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 1 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 83 84 2 0 0 0 0 83 85 1 0 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 88 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 2 0 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 95 96 2 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 1 0 0 0 0 M END > CDB003433 > CDB > [H]C(O)(COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)OC[C@@]([H])(COC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC > InChI=1S/C79H148O17P2/c1-5-9-13-17-21-25-29-33-36-40-44-48-52-56-60-64-77(82)90-70-75(96-79(84)66-62-58-54-50-46-42-38-35-31-27-23-19-15-11-7-3)72-94-98(87,88)92-68-73(80)67-91-97(85,86)93-71-74(69-89-76(81)63-59-55-51-47-43-39-32-28-24-20-16-12-8-4)95-78(83)65-61-57-53-49-45-41-37-34-30-26-22-18-14-10-6-2/h23,27,33,35-36,38,73-75,80H,5-22,24-26,28-32,34,37,39-72H2,1-4H3,(H,85,86)(H,87,88)/b27-23-,36-33-,38-35-/t73-,74+,75+/m0/s1 > VRCOLUBEARNJLG-VUEBLWDTSA-N > C79H148O17P2 > 1431.984 > 1431.019177302 > 9 > 246 > 173.4300159471411 > 0 > 3 > 0 > 0 > [3-({[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)-2-hydroxypropoxy][(2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 9.06 > 25.294764081333334 > -7.31 > 0 > 0 > -2 > 2.191804358217231 > 1.589737614322373 > -3.4105029523385797 > 236.94999999999996 > 401.0574999999999 > 81 > 0 > 7.05e-05 g/l > 3-{[(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy(hydroxy)phosphoryl]oxy}-2-hydroxypropoxy((2R)-3-[(9Z)-octadec-9-enoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > CDB003433 > CL(16:0/18:0/18:1(9Z)/18:2(9Z,12Z)) $$$$