HMDB0112071 RDKit 3D 12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid 55 55 0 0 0 0 0 0 0 0999 V2000 -7.5536 3.3613 -1.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8013 2.0798 -1.1982 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6345 2.1479 -0.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7781 1.0267 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5942 1.1871 0.3576 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 0.0612 0.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6944 -0.2434 1.2236 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 -0.5971 0.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6540 -0.9280 0.9054 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1842 0.2142 1.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4543 0.0851 2.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.0334 1.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 -1.1598 0.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2689 -1.2771 0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6475 -0.0248 -0.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0703 -0.2450 -1.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5231 0.9427 -1.8709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7860 1.9454 -1.9897 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7739 0.9419 -2.4438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8415 -0.9336 0.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6017 -2.3970 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9604 -0.3139 -0.4327 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0830 -1.0537 -1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0224 3.7548 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4037 3.0965 -2.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8877 4.1118 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2302 1.1371 -1.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2980 3.1799 -0.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4571 0.6679 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8339 -1.1027 1.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5044 0.2262 -0.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9419 -1.5107 -0.3567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -1.4388 0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3544 -1.7492 1.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1932 1.1174 1.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 0.4924 2.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5553 0.8618 3.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3714 -0.8791 3.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0027 0.9546 1.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5934 -0.1331 2.4324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5634 -2.1064 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 -0.8704 -0.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0086 -1.4355 0.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3245 -2.1256 -0.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6564 0.8486 0.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 0.1154 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0084 -1.1481 -1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7231 -0.4814 -0.2429 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3441 1.7326 -2.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -2.5880 0.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2189 -2.6707 -0.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5331 -2.9370 0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2439 -0.8114 -2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8831 -2.1646 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0462 -0.9312 -0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 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 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 6 20 2 0 20 21 1 0 20 22 1 0 22 23 1 0 22 4 2 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 3 28 1 0 7 29 1 0 7 30 1 0 8 31 1 0 8 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 12 40 1 0 13 41 1 0 13 42 1 0 14 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 19 49 1 0 21 50 1 0 21 51 1 0 21 52 1 0 23 53 1 0 23 54 1 0 23 55 1 0 M END