HMDB0002183 RDKit 3D Docosahexaenoic acid 56 55 0 0 0 0 0 0 0 0999 V2000 1.7913 1.7482 -0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2807 1.5735 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9767 1.1409 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6793 0.0660 -1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0220 -1.0142 -0.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 -1.0868 1.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8958 -2.0694 1.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4245 -3.2774 0.9782 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9594 -3.4113 1.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 -3.4696 0.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -3.4112 -1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 -2.4275 -2.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0929 -1.4490 -2.0536 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4792 -1.1538 -0.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9280 -1.3694 -0.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8157 -0.4804 -0.3690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4465 0.9216 -0.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9014 1.2299 1.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7214 2.2055 1.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2800 3.1040 0.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7994 2.9431 0.6561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4627 3.8036 -0.3271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7891 4.5518 -1.0753 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8426 3.7923 -0.4324 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1179 1.4807 0.6356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 2.8105 -0.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5971 1.1881 -1.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 0.8880 1.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6219 2.5957 0.5334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8541 1.8582 -1.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -0.0335 -2.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8024 -2.0055 -0.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1933 -1.1142 -0.1737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 -0.2670 1.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6514 -1.9415 2.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 -4.2084 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -3.3690 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5862 -3.4605 2.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -3.6318 0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2814 -4.4855 -1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6116 -3.3957 -1.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2727 -2.5095 -3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2325 -0.7859 -2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3909 0.0120 -0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1325 -1.4763 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 -2.4067 -0.9195 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 -0.8004 -0.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 1.5190 -0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4154 1.2214 -0.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5168 0.5957 2.1542 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0327 2.3893 2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0339 4.1554 0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9671 2.9685 -0.3883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0001 1.8637 0.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1198 3.2062 1.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3180 4.6785 -0.3525 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 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 4 31 1 0 5 32 1 0 5 33 1 0 6 34 1 0 7 35 1 0 8 36 1 0 8 37 1 0 9 38 1 0 10 39 1 0 11 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 24 56 1 0 M END