HMDB0034381 RDKit 3D Methyl linoleate 55 54 0 0 0 0 0 0 0 0999 V2000 6.2136 0.0081 -2.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7631 0.7438 -0.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8656 -0.2388 0.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5281 0.1665 1.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1434 0.6093 2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6656 1.7825 1.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6443 1.8990 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6671 0.9145 0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7716 -0.4672 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8563 -1.0594 1.3162 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3635 -0.3983 1.7985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -1.0850 1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6564 -1.0598 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8772 -1.7231 -0.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1597 -1.0673 -0.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3071 -1.8196 -0.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5898 -1.1778 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6967 0.2184 -0.9147 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6544 0.9287 -0.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8403 0.8537 -1.7797 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0218 2.2097 -2.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9734 -1.0828 -1.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3145 0.0719 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7080 0.4182 -2.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7807 1.1553 -0.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4638 1.5986 -0.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9323 -0.6069 0.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2779 -1.1495 0.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7464 -0.7512 2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2837 0.9057 2.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2625 0.9268 3.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4700 -0.2334 2.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2571 2.7402 1.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4739 2.9360 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7013 0.8748 -1.0200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6297 1.2968 0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6438 -1.1099 0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9894 -2.1146 1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3992 0.6788 1.7605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3971 -0.6721 2.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5318 -0.6233 1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5560 -2.1365 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7649 -1.5291 -0.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6719 0.0158 -0.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 -2.7955 -0.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8717 -1.6522 -1.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1349 -0.0151 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2918 -1.1770 0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2876 -2.8429 -0.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2142 -1.8427 -2.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7222 -1.2851 0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4389 -1.7544 -0.9113 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0364 2.7100 -1.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7642 2.6619 -1.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2874 2.3083 -3.1965 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 18 19 2 0 18 20 1 0 20 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 7 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 10 38 1 0 11 39 1 0 11 40 1 0 12 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 15 47 1 0 15 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 21 53 1 0 21 54 1 0 21 55 1 0 M END