53477510 CDK 1203211124 27 26 0 0 0 0 0 0 0 0999 V2000 4.2364 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0943 -3.7125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2364 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9508 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2364 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6654 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3798 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0929 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8087 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 2 20 2 0 0 0 0 3 27 1 0 0 0 0 4 27 2 0 0 0 0 5 20 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 19 23 2 0 0 0 0 21 22 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:186903 > 12-HETE-Gly > 2 > 2-[[(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoyl]amino]acetic acid > C22H35NO4 > 377.525 > 377.25661 > 0 > O[C@@H](C/C=C\CCCCC)/C=C/C=C\C/C=C\CCCC(=O)NCC(O)=O > InChI=1S/C22H35NO4/c1-2-3-4-5-10-13-16-20(24)17-14-11-8-6-7-9-12-15-18-21(25)23-19-22(26)27/h7-11,13-14,17,20,24H,2-6,12,15-16,18-19H2,1H3,(H,23,25)(H,26,27)/b9-7-,11-8-,13-10-,17-14+/t20-/m0/s1 > IEDOAPXQRUEANC-DJNHXDDZSA-N > LMFA08020144 $$$$