HMDB0002356 RDKit 3D Hexacosanoic acid 80 79 0 0 0 0 0 0 0 0999 V2000 -8.4221 0.7546 -2.8661 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2381 -0.1829 -2.9859 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 0.6405 -3.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6954 1.6115 -2.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4872 1.2148 -0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4213 0.3087 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5127 -1.0612 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 -1.9758 -0.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3883 -2.1191 1.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2386 -3.0521 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -3.2780 2.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9171 -2.1698 3.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7614 -1.2666 3.7806 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -0.4228 2.5927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6676 0.4926 2.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -0.2686 2.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0798 0.7097 3.1485 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 1.5392 1.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4484 0.6788 0.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 1.6229 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8031 0.8901 -1.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0680 0.1032 -1.8050 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2662 1.0034 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 0.2312 -1.5806 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7712 1.0784 -1.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9342 2.0695 -2.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8459 2.9510 -2.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1797 2.1403 -3.5676 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2911 1.5983 -3.5706 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3880 0.2334 -2.9814 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4043 1.1781 -1.8424 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3945 -0.8800 -3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 -0.7932 -2.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2256 0.0337 -3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3058 1.3151 -4.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5834 2.3449 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8620 2.3293 -2.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5055 0.8118 -0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4319 2.1765 -0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 0.3426 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 0.7445 -0.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4585 -1.1257 -1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4730 -1.5580 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5872 -2.9765 -0.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4345 -1.6234 -0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2315 -1.1963 1.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3427 -2.5677 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3407 -2.7087 0.9417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4713 -4.0388 0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 -3.9735 3.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1913 -3.9659 3.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9302 -2.6309 4.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8876 -1.5710 3.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 -1.8678 4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 -0.5576 4.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3772 -0.9065 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 0.3087 2.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4795 1.2386 3.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7596 1.0514 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8714 -0.9214 3.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1446 -0.9746 2.1587 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9998 0.1569 3.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8312 1.4146 3.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 2.2464 1.7601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0860 2.2271 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3602 0.1167 0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 0.0492 0.4722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3712 2.3362 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6199 2.2182 -0.5473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8253 1.5946 -2.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9313 0.2233 -1.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 -0.7585 -1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.3223 -2.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2919 1.7795 -2.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2116 1.5307 -0.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5329 -0.5714 -0.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -0.3251 -2.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6825 0.4501 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6525 1.5920 -0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3546 1.4855 -4.3305 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 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 1 29 1 0 1 30 1 0 1 31 1 0 2 32 1 0 2 33 1 0 3 34 1 0 3 35 1 0 4 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 6 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 9 47 1 0 10 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 12 53 1 0 13 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 18 65 1 0 19 66 1 0 19 67 1 0 20 68 1 0 20 69 1 0 21 70 1 0 21 71 1 0 22 72 1 0 22 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 28 80 1 0 M END