Ketcher 06081711402D 1 1.00000 0.00000 0 26 26 0 0 0 999 V2000 -6.5605 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5605 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4333 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 0.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 3.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1891 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5565 2.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.1873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 2.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8151 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0695 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4512 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4214 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2942 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1670 0.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 0.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1968 -0.5269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5 1 1 0 0 0 5 7 1 0 0 0 1 2 1 0 0 0 2 4 1 0 0 0 4 17 1 0 0 0 17 7 1 0 0 0 2 3 2 0 0 0 5 6 1 6 0 0 7 8 1 6 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 15 1 0 0 0 15 14 2 0 0 0 15 16 1 0 0 0 17 18 1 1 0 0 18 19 2 0 0 0 19 25 1 0 0 0 25 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 25 26 1 6 0 0 M CHG 1 16 -1 M END > CHEBI:136539 > 11-dehydro-thromboxane B2(1-) > A thromboxane anion that is the conjugate base of 11-dehydro-thromboxane B2, obtained by deprotonation of the carboxy group; major species at pH 7.3. > 3 > 11-dehydro-TXB22(1-); 11-dehydro-thromboxane B2; (5Z)-7-{(2R,3S,4S)-4-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-6-oxooxan-3-yl}hept-5-enoate > (5Z,13E,15S)-9alpha,15-dihydroxy-11-oxothromboxa-5,13-dien-1-oate > C20H31O6 > 367.457 > 367.21261 > -1 > C1[C@@H]([C@@H]([C@H](OC1=O)/C=C/[C@H](CCCCC)O)C/C=C\CCCC(=O)[O-])O > InChI=1S/C20H32O6/c1-2-3-6-9-15(21)12-13-18-16(17(22)14-20(25)26-18)10-7-4-5-8-11-19(23)24/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,23,24)/p-1/b7-4-,13-12+/t15-,16-,17-,18+/m0/s1 > KJYIVXDPWBUJBQ-UHHGALCXSA-M > 8200461 $$$$