156981280 CDK 0404242200 68 69 0 0 0 0 0 0 0 0999 V2000 11.8654 1.4062 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 12.0163 2.1792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3445 4.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8499 6.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2249 5.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5771 3.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2573 2.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7324 2.3895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1150 1.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1387 0.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6374 1.1152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3939 4.8759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2899 1.1061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6040 -0.2883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1571 2.1692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6550 -1.7163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 5.2742 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0456 4.5237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0823 5.7202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9441 4.5237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1630 3.7071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6014 5.2742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9073 5.7202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8267 3.7071 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4948 2.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7032 3.0836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2864 3.0836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5671 5.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7607 4.6411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0885 4.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0674 5.4071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8840 5.5245 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2673 4.7589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1906 6.2903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7887 4.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0072 6.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1314 3.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6365 0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3138 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8152 0.4699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8431 2.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1304 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3683 1.9274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4285 -0.2589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4370 8.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -1.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3928 -1.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 -1.7752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1816 -1.8047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7948 -2.5334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 -2.5629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5836 -3.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 -3.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3724 -4.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5479 -4.0792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1612 -4.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5989 -5.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2122 -6.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6499 -6.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4744 -6.9059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9122 -7.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7366 -7.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1234 -6.8469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9479 -6.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3345 -6.0888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8968 -5.3895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2836 -4.6608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 1 12 2 0 0 0 0 26 2 1 1 0 0 0 19 3 1 6 0 0 0 20 4 1 1 0 0 0 22 5 1 1 0 0 0 23 6 1 1 0 0 0 25 7 1 1 0 0 0 27 8 1 6 0 0 0 28 9 1 1 0 0 0 10 39 1 0 0 0 0 33 13 1 6 0 0 0 14 41 1 0 0 0 0 14 44 1 0 0 0 0 15 45 1 0 0 0 0 15 47 1 0 0 0 0 16 44 2 0 0 0 0 17 47 2 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 1 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 21 30 1 6 0 0 0 22 27 1 0 0 0 0 23 24 1 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 29 31 1 0 0 0 0 30 32 2 0 0 0 0 31 34 2 3 0 0 0 32 33 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 37 40 1 0 0 0 0 38 42 1 0 0 0 0 39 41 1 0 0 0 0 40 43 1 0 0 0 0 41 45 1 1 0 0 0 42 44 1 0 0 0 0 43 46 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 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 2 0 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 65 66 2 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 M END > CHEBI:230124 > PI(22:4(10Z,13Z,16Z,19Z)/PGF2alpha) > 2 > [(1R,6R,15S,16S,18R,19S,20R,21R,22R,23S,24R)-3,16,18,20,21,22,23,24-octahydroxy-19-[(E,3S)-3-hydroxyoct-1-enyl]-3,8-dioxo-2,4,7-trioxa-3lambda5-phosphabicyclo[13.6.3]tetracos-12-en-6-yl]methyl (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate > C51H85O16P > 985.199 > 984.55752 > 0 > P1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H]([C@@H](O)C[C@@H](O)[C@@H]([C@@H](O)[C@H]2O)/C=C/[C@@H](O)CCCCC)CC=CCCCC(O[C@@H](CO1)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(O)=O > InChI=1S/C51H85O16P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31-44(55)64-36-39-37-65-68(62,63)67-51-49(60)47(58)41(34-33-38(52)29-25-6-4-2)43(54)35-42(53)40(46(57)48(59)50(51)61)30-26-23-24-28-32-45(56)66-39/h5,7,9-10,12-13,15-16,23,26,33-34,38-43,46-54,57-61H,3-4,6,8,11,14,17-22,24-25,27-32,35-37H2,1-2H3,(H,62,63)/b7-5-,10-9-,13-12-,16-15-,26-23?,34-33+/t38-,39+,40-,41-,42-,43+,46+,47+,48-,49+,50+,51+/m0/s1 > SJAIOLSPFHIHCZ-GILSKEHNSA-N $$$$