Ketcher 07211617092D 1 1.00000 0.00000 0 27 26 0 1 0 999 V2000 12.9850 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8358 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6865 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5374 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4382 -2.8298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5374 -4.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9841 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2324 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2315 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 -2.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3307 -3.3304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4827 -1.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9814 -1.8791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8775 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7785 -4.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6292 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 -4.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3808 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2315 -4.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2324 -4.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0832 -4.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 -4.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4799 -5.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 4 6 2 0 0 0 1 7 2 0 0 0 8 9 1 0 0 0 9 7 1 0 0 0 8 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 2 0 0 0 15 10 1 0 0 0 8 16 1 1 0 0 10 17 2 0 0 0 11 18 2 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 21 27 1 6 0 0 M END > CHEBI:132797 > 8-oxoresolvin D1 > A resolvin that is docosa-4Z,9E,11E,13Z,15E,19Z-hexaenoic acid which is substituted by hydroxy groups at the 7 and 17 positions as well as an oxo group at the 8-position (the 7S,17S-stereoisomer). > 3 > 8-oxo-RvD1; 8-oxo-7S,17S-dihydroxy-4Z,9E,11E,13Z,15E,19Z-docosahexaenoic acid; 8-oxo-(7S,17S)-dihydroxy-(4Z,9E,11E,13Z,15E,19Z)-docosahexaenoic acid > (4Z,7S,9E,11E,13Z,15E,17S,19Z)-7,17-dihydroxy-8-oxodocosa-4,9,11,13,15,19-hexaenoic acid > C22H30O5 > 374.471 > 374.20932 > 0 > C(\CCC(O)=O)=C\C[C@@H](C(/C=C/C=C/C=C\C=C\[C@H](C/C=C\CC)O)=O)O > InChI=1S/C22H30O5/c1-2-3-9-14-19(23)15-10-6-4-5-7-11-16-20(24)21(25)17-12-8-13-18-22(26)27/h3-12,15-16,19,21,23,25H,2,13-14,17-18H2,1H3,(H,26,27)/b6-4-,7-5+,9-3-,12-8-,15-10+,16-11+/t19-,21-/m0/s1 > LUPPRXHPUZNWES-BZRROHBCSA-N > LMFA04000079 > 17244615 $$$$