Ketcher 03201710392D 1 1.00000 0.00000 0 28 27 0 1 0 999 V2000 7.9058 -2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7994 -3.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 -3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1756 -2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3105 -3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 -2.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 -3.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1756 -1.7420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0406 -1.2425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 -4.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4454 -4.7388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 -2.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7168 -6.2403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8518 -5.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9867 -6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -4.7419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 -4.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 -3.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -2.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1216 -5.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 -6.2403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -5.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6612 -1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5262 -1.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3913 -1.7451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8518 -4.7419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2566 -1.2457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1216 -1.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 1 3 2 0 0 0 4 8 1 6 0 0 8 9 1 0 0 0 10 11 1 0 0 0 7 10 1 0 0 0 2 12 2 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 16 17 1 0 0 0 17 18 2 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 22 16 1 0 0 0 15 20 1 0 0 0 25 19 1 0 0 0 19 18 1 0 0 0 23 24 2 0 0 0 24 25 1 0 0 0 14 26 2 0 0 0 23 12 1 0 0 0 25 27 1 0 0 0 27 28 1 0 0 0 M END > CHEBI:136594 > (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid > A hydroperoxydocosapentaenoic acid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17. > 3 > (10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid; (10,17S)-DiHPDoPEn-6; (10,17S)-bis(hydroperoxy)-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid > (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15-pentaenoic acid > C22H34O6 > 394.503 > 394.23554 > 0 > C(/C=C\C=C/C(C/C=C\C/C=C\CCC(O)=O)OO)=C\[C@H](CCCCC)OO > InChI=1S/C22H34O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h5-9,11-13,17-18,20-21,25-26H,2-4,10,14-16,19H2,1H3,(H,23,24)/b7-5-,9-8-,11-6-,17-12+,18-13-/t20-,21?/m0/s1 > OBXRYBLVMCAPKM-WRMGERKZSA-N > 19324874 $$$$