Mrv1572004261618432D 69 68 0 0 1 0 999 V2000 0.8946 1.1998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3084 6.9871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7857 0.3821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6547 6.4839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4394 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7636 5.6661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -0.9390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1099 5.1629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -1.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2189 4.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8752 -2.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5651 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 -2.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6741 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2917 -2.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0204 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 -1.6309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2577 2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1633 -1.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2723 -0.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6039 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0349 -0.1841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8412 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1439 0.6337 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 4.4902 1.1369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4248 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5991 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7711 1.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9454 2.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0084 2.2692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1827 2.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8994 3.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 2.6467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1367 3.4015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7663 2.3321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0043 6.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8720 6.0345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0666 2.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1949 3.8419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6898 6.1435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3039 3.0241 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4830 2.8983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 2.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5011 7.5599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1930 5.4898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5920 2.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2215 3.6531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6308 5.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0781 5.0539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 3.2128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5575 5.2718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 4.3451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3498 2.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7397 5.1629 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 1.1125 -2.5745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8024 4.1564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4200 -3.5810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4368 2.7096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7469 -1.1277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1487 3.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8170 -1.8196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7129 1.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6887 -0.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9066 0.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3618 2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0543 3.2757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1865 6.7972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9576 3.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 7 5 1 0 0 0 0 8 6 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 11 9 1 0 0 0 0 12 10 1 0 0 0 0 13 11 2 0 0 0 0 14 12 2 0 0 0 0 15 13 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 16 1 0 0 0 0 19 17 2 0 0 0 0 20 19 1 0 0 0 0 21 18 2 0 0 0 0 22 20 1 0 0 0 0 23 21 1 0 0 0 0 24 22 2 0 0 0 0 25 23 1 0 0 0 0 26 24 1 0 0 0 0 27 25 1 0 0 0 0 28 26 1 0 0 0 0 29 27 1 0 0 0 0 30 28 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 1 0 0 0 0 34 32 1 0 0 0 0 35 33 1 0 0 0 0 36 34 1 0 0 0 0 41 37 1 0 0 0 0 41 38 1 0 0 0 0 42 39 1 0 0 0 0 42 40 1 0 0 0 0 43 35 1 0 0 0 0 44 36 1 0 0 0 0 45 37 1 0 0 0 0 41 46 1 6 0 0 0 47 43 2 0 0 0 0 48 44 2 0 0 0 0 51 39 1 0 0 0 0 51 43 1 0 0 0 0 52 38 1 0 0 0 0 53 40 1 0 0 0 0 42 54 1 1 0 0 0 54 44 1 0 0 0 0 55 49 1 0 0 0 0 55 50 2 0 0 0 0 55 52 1 0 0 0 0 55 53 1 0 0 0 0 56 11 1 0 0 0 0 57 12 1 0 0 0 0 58 13 1 0 0 0 0 59 14 1 0 0 0 0 60 17 1 0 0 0 0 61 18 1 0 0 0 0 62 19 1 0 0 0 0 63 21 1 0 0 0 0 64 22 1 0 0 0 0 65 24 1 0 0 0 0 66 28 1 0 0 0 0 67 30 1 0 0 0 0 41 68 1 6 0 0 0 42 69 1 1 0 0 0 M END > CHEM039869 > chemdb > [H]\C(CCCCC)=C(\[H])C\C([H])=C(/[H])CCCCCCCC(=O)OC[C@]([H])(COP(O)(=O)OC[C@@]([H])(O)CO)OC(=O)CCC\C([H])=C(\[H])C\C([H])=C(\[H])C\C([H])=C(/[H])C\C([H])=C(\[H])CCCCC > InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-22,24,28,30,41-42,45-46H,3-10,15-16,20,23,25-27,29,31-40H2,1-2H3,(H,49,50)/b13-11-,14-12+,19-17+,21-18+,24-22-,30-28-/t41-,42+/m0/s1 > MMWTVDJVEFZVRA-IAAYPDAVSA-N > C44H75O10P > 795.048 > 794.509785613 > 6 > 130 > 91.8777069706539 > 0 > 3 > 0 > 0 > [(2S)-2,3-dihydroxypropoxy][(2R)-2-[(5Z,8Z,11E,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy]phosphinic acid > 7.83 > 11.432933569333336 > -6.94 > 0 > 0 > -1 > 13.641245576372423 > 1.8907737771906348 > -2.9689647678483633 > 148.82 > 229.61450000000008 > 40 > 0 > 9.11e-05 g/l > (2S)-2,3-dihydroxypropoxy((2R)-2-[(5Z,8Z,11E,14Z)-icosa-5,8,11,14-tetraenoyloxy]-3-[(9E,12E)-octadeca-9,12-dienoyloxy]propoxy)phosphinic acid > 0 > PG(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)) $$$$