Ketcher 11141715442D 1 1.00000 0.00000 0 25 26 0 1 0 999 V2000 8.0683 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0683 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -6.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6664 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5326 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3984 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2645 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1306 -5.3886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9967 -6.8885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9967 -5.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8627 -5.3886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8003 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6664 -7.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5325 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2646 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1306 -7.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9967 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8626 -7.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7287 -6.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3985 -7.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3985 -8.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9344 -7.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 5 1 0 0 0 1 3 1 0 0 0 3 25 1 0 0 0 25 15 1 0 0 0 15 5 1 0 0 0 2 4 1 6 0 0 3 4 1 6 0 0 5 6 1 6 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 13 1 0 0 0 13 12 2 0 0 0 13 14 1 0 0 0 15 16 1 1 0 0 16 17 2 0 0 0 17 23 1 0 0 0 23 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 23 24 1 6 0 0 M CHG 1 14 -1 M END > CHEBI:138322 > carbocyclic thromboxane A2(1-) > A thromboxane anion that is the conjugate base of carbocyclic thromboxane A2, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 2 > carbocyclic TXA2(1-); 9alpha,11alpha-methylene TXA2(1-); 9-alpha,11-alpha-methylene thromboxane A(2) > (5Z)-7-{(1R,3R,4S,5R)-3-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[3.1.1]heptan-4-yl}hept-5-enoate > C21H33O4 > 349.485 > 349.23843 > -1 > C1[C@H]2[C@@H]([C@H](O[C@@H]1C2)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-] > InChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-20-19(16-14-18(15-16)25-20)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/p-1/b7-4-,13-12+/t16-,17-,18+,19-,20+/m0/s1 > VQUUFWNZZIMDBR-SXNJQZKASA-M > 15789615 $$$$