134812518 CDK 1203211123 41 40 0 0 0 0 0 0 0 0999 V2000 9.5094 3.7621 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 2.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 3.7621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 0.8745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 4.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 3.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 4.4765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 2.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7977 3.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 4.5871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -1.6005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5080 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2224 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5094 -0.3630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7949 -2.4256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7935 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -2.8381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6515 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2239 0.8745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0804 -3.6631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3659 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -4.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 1.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6529 3.3496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6529 2.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9383 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7963 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5108 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0818 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2253 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9398 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6542 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3688 3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0832 3.7621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 2 0 0 0 0 2 30 1 0 0 0 0 2 32 1 0 0 0 0 31 3 1 6 0 0 0 3 36 1 0 0 0 0 4 30 2 0 0 0 0 5 33 1 0 0 0 0 6 36 2 0 0 0 0 10 38 2 0 0 0 0 11 41 1 0 0 0 0 12 41 2 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 24 28 1 0 0 0 0 25 30 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:186617 > OKODiA-PA > 2 > (E)-8-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid > C29H49O11P > 604.674 > 604.30125 > 0 > P(OC[C@H](OC(=O)CCCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)(O)(O)=O > InChI=1S/C29H49O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28(33)38-23-26(24-39-41(35,36)37)40-29(34)20-17-18-25(30)21-22-27(31)32/h9-10,21-22,26H,2-8,11-20,23-24H2,1H3,(H,31,32)(H2,35,36,37)/b10-9-,22-21+/t26-/m1/s1 > VXDWKQOMTIIWSK-UKDIVRNCSA-N > LMGP20070030 $$$$