Ketcher 03051815542D 1 1.00000 0.00000 0 28 27 0 1 0 999 V2000 14.4105 -8.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2609 -7.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2609 -6.8533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1114 -8.3541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5102 -7.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7782 -7.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7449 -6.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5944 -6.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6521 -8.3684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5944 -5.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7281 -4.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7281 -3.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8617 -3.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9954 -3.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1289 -3.3803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -3.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -4.8812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 -5.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3961 -6.3817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -6.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2624 -7.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3962 -8.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 -7.8826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6632 -8.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5296 -6.8818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4689 -6.8678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3204 -6.3425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6633 -6.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 4 1 0 0 0 2 3 2 0 0 0 1 5 1 0 0 0 9 6 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 5 9 1 0 0 0 8 10 1 0 0 0 10 11 2 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 19 25 1 6 0 0 8 26 1 1 0 0 26 27 1 0 0 0 25 28 1 0 0 0 M END > CHEBI:140245 > (7S,17S)-bis(hydroperoxy)-(4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid > A docosanoid that is (4Z,8E,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 17S-positions. > 3 > 7S,17S-diH(P)DHA; 7(S),17(S)-dihydroperoxydocosahexaenoic acid; 7(S),17(S)-diHpDHA; (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosahexaenoic acid > (4Z,7S,8E,10Z,13Z,15E,17S,19Z)-7,17-bis(hydroperoxy)docosa-4,8,10,13,15,19-hexaenoic acid > C22H32O6 > 392.487 > 392.21989 > 0 > C(C(O)=O)C/C=C\C[C@@H](/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)OO > InChI=1S/C22H32O6/c1-2-3-10-15-20(27-25)16-11-7-5-4-6-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3,5-13,16-17,20-21,25-26H,2,4,14-15,18-19H2,1H3,(H,23,24)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21+/m0/s1 > NQUUEKCCEOGKDL-XGTWDWJNSA-N > 23471029 $$$$