Mrv1572004261615142D 76 76 0 0 1 0 999 V2000 23.6163 3.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 9.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4396 3.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6326 9.9745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8970 4.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4559 9.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7203 4.0592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9133 10.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1777 4.7458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7366 10.5555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8118 5.4852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1940 11.2421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2692 6.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0173 11.1892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9033 6.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4747 11.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0800 6.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2980 11.8230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7140 7.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8907 7.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7554 12.5096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5248 8.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5787 12.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9822 9.1823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0361 13.1434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6163 9.9217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8594 13.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0737 10.6083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3168 13.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7078 11.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1401 13.7244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1652 12.0343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5975 14.4110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7993 12.7737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4208 14.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2567 13.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1589 15.6785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4396 16.3123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9822 15.6257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.8782 15.0448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8907 14.1997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5214 19.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8348 19.4830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 25.4686 18.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0954 19.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7292 17.8364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0426 18.2938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5123 15.7842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0674 14.2525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.2609 19.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8877 20.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1552 17.7449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4088 19.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6764 17.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4271 17.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1976 16.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7015 14.9919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0737 17.0517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3481 14.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3032 17.9279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2504 17.1045 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.5311 4.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 26.0862 3.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.9885 5.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 27.0925 6.1190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.6226 6.2774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.1714 8.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7015 8.5485 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8055 9.1295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.6163 16.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5743 19.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.1483 19.9404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.4158 17.3790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.7820 18.6597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9898 17.4705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3560 18.7512 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 2 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 1 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 1 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 1 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 39 37 1 0 0 0 0 39 38 1 0 0 0 0 40 35 1 0 0 0 0 41 36 1 0 0 0 0 43 42 1 0 0 0 0 44 42 1 0 0 0 0 45 43 1 0 0 0 0 46 44 1 0 0 0 0 47 45 1 0 0 0 0 47 46 1 0 0 0 0 48 40 2 0 0 0 0 49 41 2 0 0 0 0 50 42 1 0 0 0 0 43 51 1 6 0 0 0 52 44 1 0 0 0 0 53 45 1 0 0 0 0 54 46 1 0 0 0 0 57 37 1 0 0 0 0 57 40 1 0 0 0 0 58 38 1 0 0 0 0 39 59 1 1 0 0 0 59 41 1 0 0 0 0 47 60 1 6 0 0 0 61 55 1 0 0 0 0 61 56 2 0 0 0 0 61 58 1 0 0 0 0 61 60 1 0 0 0 0 62 5 1 0 0 0 0 63 7 1 0 0 0 0 64 11 1 0 0 0 0 65 13 1 0 0 0 0 66 17 1 0 0 0 0 67 19 1 0 0 0 0 68 22 1 0 0 0 0 69 24 1 0 0 0 0 39 70 1 1 0 0 0 71 42 1 0 0 0 0 43 72 1 1 0 0 0 73 44 1 0 0 0 0 74 45 1 0 0 0 0 75 46 1 0 0 0 0 47 76 1 1 0 0 0 M END > CHEM039134 > chemdb > [H]\C(CC)=C(\[H])C\C([H])=C(/[H])C\C([H])=C(/[H])C\C([H])=C(/[H])CCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCCCCCCCCCCCC)COP(O)(=O)O[C@@]1([H])C([H])(O)C([H])(O)C([H])(O)[C@@]([H])(O)C1([H])O > InChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,22,24,39,42-47,50-54H,3-4,6,8-10,12,14-16,18,20-21,23,25-38H2,1-2H3,(H,55,56)/b7-5+,13-11+,19-17+,24-22+/t39-,42?,43-,44?,45?,46?,47-/m1/s1 > OJESNYFIPWSOPO-GGHHWKKXSA-N > C47H83O13P > 887.142 > 886.557129731 > 9 > 144 > 103.25063074113987 > 0 > 6 > 0 > 0 > [(2R)-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid > 7.40 > 10.213781253333337 > -6.32 > 0 > 1 > -1 > 12.360530531715522 > 1.8332552462032856 > -3.6458130204247565 > 209.50999999999996 > 242.64020000000008 > 40 > 0 > 4.20e-04 g/l > (2R)-2-[(8E,11E,14E,17E)-icosa-8,11,14,17-tetraenoyloxy]-3-(octadecanoyloxy)propoxy([(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy)phosphinic acid > 0 > PI(18:0/20:4(8Z,11Z,14Z,17Z)) $$$$