HMDB0002007 RDKit 3D Tetracosahexaenoic acid 62 61 0 0 0 0 0 0 0 0999 V2000 -8.9932 0.9755 1.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1663 0.4314 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3652 1.5284 -0.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0818 1.6752 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0630 0.7291 -0.1247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4748 -0.5060 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2196 -1.6874 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4854 -1.9006 -1.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2868 -2.6860 -0.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 -2.2766 -1.1220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 -0.9615 -1.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0411 -0.1060 -0.8301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1264 0.3973 -1.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9001 0.2439 -2.2994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2099 -0.3756 -2.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8841 -0.8968 -1.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5251 -1.0232 0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2706 -0.3553 1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2724 0.4590 1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9668 0.9663 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4237 0.5286 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1518 1.0576 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6055 0.5747 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3726 1.0606 2.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 2.2692 2.2712 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7225 0.1855 3.2561 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9222 0.3836 1.2979 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1915 2.0422 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3269 0.9046 2.0732 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0237 0.2423 -0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7773 -0.5438 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9717 2.4094 -0.8810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6938 2.6694 -1.0126 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2734 0.5855 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4304 1.3560 0.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0096 -0.4642 1.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5729 -2.5858 0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2114 -2.5584 -1.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -1.0435 -1.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5001 -3.6815 -0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2545 -2.9210 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 -1.2498 -2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -0.4709 -2.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 0.1069 0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5544 1.0471 -0.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2829 -0.2170 -3.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0545 1.3094 -2.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7209 -0.4060 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 -1.3412 -1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4134 -1.0133 0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7069 -2.1697 0.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9134 -0.5890 2.1617 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6672 0.8341 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0227 2.1109 0.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5176 0.7408 -1.0691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9594 0.8886 -1.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 -0.5772 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 0.7186 2.0544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1233 2.1779 1.0362 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0751 0.9438 0.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5768 -0.5267 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0104 0.5808 4.1622 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 7 37 1 0 8 38 1 0 8 39 1 0 9 40 1 0 10 41 1 0 11 42 1 0 11 43 1 0 12 44 1 0 13 45 1 0 14 46 1 0 14 47 1 0 15 48 1 0 16 49 1 0 17 50 1 0 17 51 1 0 18 52 1 0 19 53 1 0 20 54 1 0 20 55 1 0 21 56 1 0 21 57 1 0 22 58 1 0 22 59 1 0 23 60 1 0 23 61 1 0 26 62 1 0 M END