Ketcher 10021716102D 1 1.00000 0.00000 0 24 23 0 0 0 999 V2000 15.7388 -7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7388 -5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8736 -6.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8736 -7.3363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 -7.9586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4608 -7.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7031 -5.9372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2720 -6.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7031 -7.7369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6754 -5.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4608 -6.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1694 -8.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1719 -8.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1719 -5.6316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1694 -5.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6041 -7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6041 -6.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4694 -7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3349 -7.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3349 -6.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4694 -5.8376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4694 -4.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0326 -5.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9340 -4.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 1 4 1 0 0 0 17 2 1 0 0 0 2 3 1 0 0 0 5 6 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 5 9 2 0 0 0 10 11 1 0 0 0 12 4 1 0 0 0 12 13 2 0 0 0 14 11 1 0 0 0 6 13 1 0 0 0 14 15 2 0 0 0 15 3 1 0 0 0 18 16 1 0 0 0 21 17 1 0 0 0 18 19 1 0 0 0 20 21 1 0 0 0 21 22 2 0 0 0 10 7 1 0 0 0 7 23 1 6 0 0 10 24 1 1 0 0 M CHG 1 20 -1 M END > CHEBI:138002 > (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoate > A (5Z,11Z,14Z)-8,9-dihydroxyicosatrienoate obtained by deprotonation of the carboxy group of (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosatrienoic acid; major species at pH 7.3. > 3 > (8S,9S)-dihydroxy-(5Z,11Z,14Z)-icosatrienoate; (8S,9S)-dihydroxy-(5Z,11Z,14Z)-eicosatrienoate; (8S,9S)-DHET(1-); (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyeicosatrienoate > (5Z,8S,9S,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoate > C20H33O4 > 337.474 > 337.23843 > -1 > C(CCC)C/C=C\C/C=C\C[C@@H]([C@H](C/C=C\CCCC([O-])=O)O)O > InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-12-15-18(21)19(22)16-13-10-11-14-17-20(23)24/h6-7,9-10,12-13,18-19,21-22H,2-5,8,11,14-17H2,1H3,(H,23,24)/p-1/b7-6-,12-9-,13-10-/t18-,19-/m0/s1 > DCJBINATHQHPKO-VHVLZKDYSA-M > 7840649 $$$$