HMDB0244592 RDKit 3D 14,15-Episulfide eicosatrienoic acid 55 55 0 0 0 0 0 0 0 0999 V2000 8.0296 -1.9335 1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8380 -0.9867 1.6666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 -0.1863 0.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6299 0.7351 0.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5939 1.5473 -0.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4152 2.4802 -0.8997 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0499 3.5612 -2.2066 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2338 2.0927 -1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8739 2.0118 -1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 1.6519 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0509 0.6097 -2.0184 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 -0.4271 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1916 -0.5172 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8692 -1.6390 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1579 -1.6989 0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2954 -2.0209 -0.3147 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3246 -1.2672 -0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5418 0.0411 0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8056 0.0662 1.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9796 -0.2444 0.1326 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2123 -0.2098 0.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3252 -0.4424 0.4505 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1073 0.0768 2.3072 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6915 -1.7707 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6940 -2.9915 1.6192 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6154 -1.8459 2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8777 -0.2997 2.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 -1.5662 1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6770 -0.8853 -0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 0.4464 0.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6270 1.4228 1.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6923 0.1381 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5608 2.0888 -0.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 0.8192 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0950 2.7791 0.1294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4355 1.1873 -2.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9641 1.2631 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6115 3.0171 -0.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6539 2.3521 -2.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 0.4390 -2.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2799 -1.3988 -1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9549 -0.3457 -0.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5574 0.3414 0.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4782 -2.4926 -0.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3165 -0.7627 1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9900 -2.4749 1.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2779 -2.9935 -0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1286 -1.6132 -1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7519 0.4337 0.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6694 0.8416 -0.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9210 1.0266 1.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6453 -0.6934 1.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1210 0.5880 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9171 -1.1717 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6316 0.8205 2.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 3 11 12 1 0 12 13 1 0 13 14 2 3 14 15 1 0 15 16 1 0 16 17 2 3 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 8 6 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 23 55 1 0 M END