HMDB0244316 RDKit 3D Docosahexaenoicacid(DHA) 56 55 0 0 0 0 0 0 0 0999 V2000 -6.3462 -1.8113 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0205 -0.7210 -0.5773 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4349 0.4654 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3216 1.2591 0.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3885 1.8498 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3105 2.6538 0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4908 1.7992 1.4671 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8736 0.6331 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 0.9439 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5065 -0.3558 -0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3035 -0.7925 -0.9941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8591 -0.0767 -0.5513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0905 -0.5965 -0.6433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2654 -1.9011 -1.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4850 -2.4695 -1.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6492 -1.8702 -0.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7378 -1.3101 -0.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0347 -1.9347 -0.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1494 -1.4078 -0.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2509 -0.0553 0.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4793 0.3742 0.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 1.6973 1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7722 2.5042 1.4044 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9929 2.0700 1.5705 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9081 -2.0991 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3679 -2.7432 -0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3153 -1.6715 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3459 -0.4708 -1.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9342 -1.1336 -1.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9724 1.1520 -0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0884 0.1149 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8049 0.6234 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8099 2.0716 1.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9519 1.1206 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9199 2.5888 -0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8219 3.4541 1.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6850 3.2090 -0.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7110 2.4157 1.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1238 1.4147 2.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 0.0652 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6502 -0.0580 0.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1136 1.5443 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4367 1.5858 -1.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3393 -0.9862 -1.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -1.8019 -1.4500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7587 0.9021 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9296 0.0261 -0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -2.4856 -1.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -3.4998 -1.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3774 -3.0325 -1.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 -0.2685 -0.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0627 -2.9705 -0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1079 -1.9691 -0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4349 0.6288 0.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3140 -0.3208 0.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7444 1.6463 1.0078 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 2 3 13 14 1 0 14 15 2 3 15 16 1 0 16 17 2 3 17 18 1 0 18 19 2 3 19 20 1 0 20 21 2 3 21 22 1 0 22 23 2 0 22 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 9 43 1 0 10 44 1 0 11 45 1 0 12 46 1 0 13 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 21 55 1 0 24 56 1 0 M END