Mrv1652304202021122D 34 33 0 0 1 0 999 V2000 21.3022 -6.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6271 -6.9762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9520 -6.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9773 -6.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2768 -6.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1003 -7.7558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6524 -6.5864 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2627 -5.9112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0422 -7.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3275 -6.1966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2148 -7.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 -7.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3858 -8.1682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3858 -8.9933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9873 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7018 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4163 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1307 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8452 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5597 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2741 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9887 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7031 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4176 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1321 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8465 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5610 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2755 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9900 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7045 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4190 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1334 -6.5636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8479 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5624 -6.5636 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 6 0 0 0 7 4 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 2 11 1 1 0 0 0 13 12 1 0 0 0 0 14 13 2 0 0 0 0 6 13 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 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 5 1 0 0 0 0 M END > M2MDB000816 > M2MDB > [H][C@@](COCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)(COP(O)(O)=O)OC(C)=O > InChI=1S/C25H43O7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30-22-25(32-24(2)26)23-31-33(27,28)29/h7-8,10-11,13-14,16-17,25H,3-6,9,12,15,18-23H2,1-2H3,(H2,27,28,29)/b8-7-,11-10-,14-13-,17-16-/t25-/m1/s1 > LTIFQHVEGFEXBJ-NTNVCBRRSA-N > C25H43O7P > 486.5785 > 486.274640242 > 5 > 76 > 53.73004171939421 > 0 > 2 > 0 > 0 > [(2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxy]phosphonic acid > 5.89 > 6.110982887999999 > -5.60 > 0 > 0 > -2 > 6.344968841121865 > 1.3191426773965036 > -4.140954207896084 > 102.29000000000002 > 137.2477 > 22 > 0 > 1.22e-03 g/l > (2R)-2-(acetyloxy)-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraen-1-yloxy]propoxyphosphonic acid > 0 > ECMDB11156 > PA(20:4(5Z,8Z,11Z,14Z)e/2:0) $$$$