HMDB0060117 RDKit 3D Tetracosahexaenoic acid, n-3 62 61 0 0 0 0 0 0 0 0999 V2000 -7.0090 -3.2794 -0.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9915 -2.6464 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0398 -1.1941 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1292 -0.3353 0.8589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9506 -0.6919 1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6073 -0.4645 1.1231 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1937 0.0756 0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0338 0.5609 -1.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1426 1.9422 -1.4160 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 3.0224 -1.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7191 3.1605 0.1495 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4738 3.7969 -0.3553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3031 3.2682 -0.1936 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0244 2.0003 0.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6214 1.1102 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 0.5910 -0.4587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6754 0.8862 0.6657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8832 0.3539 0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4831 -0.5239 -0.2997 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7525 0.0648 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 0.3173 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3238 -0.8103 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0364 -1.9094 0.1984 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3403 -2.6696 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 -2.5233 -2.0463 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3367 -3.5523 -0.5287 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6027 -4.2217 -0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3651 -2.5652 -1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9821 -3.5786 -1.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9620 -2.9252 1.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 -3.0715 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9461 -0.8385 -0.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3489 0.7132 0.6272 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9768 -1.7657 1.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9910 -0.1581 2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8330 -0.8180 1.8763 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0732 0.0903 -0.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5255 0.0949 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0127 -0.0043 -1.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8422 2.0695 -2.3224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9207 3.9946 -1.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1278 3.9611 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4857 2.2585 0.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 4.7585 -0.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5734 3.8046 -0.6086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 1.4970 1.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7582 2.3013 1.3138 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0382 0.8868 -1.3705 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0979 -0.0413 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3902 1.5233 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4829 0.6245 1.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8548 -0.8435 -1.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7400 -1.4837 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0115 -0.4996 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4148 1.0816 -1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6922 0.7598 -0.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4968 1.1646 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0921 -0.3616 1.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5624 -1.2342 1.6102 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0159 -1.5171 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3590 -2.6447 0.9906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5154 -3.5613 -1.1221 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 2 0 18 19 1 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 18 51 1 0 19 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