HMDB0258880 RDKit 3D Tetracosapentenoic acid 64 63 0 0 0 0 0 0 0 0999 V2000 -7.9768 -2.3468 2.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1883 -1.4347 1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7020 -2.3596 0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9708 -1.9132 -0.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6945 -1.1955 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7346 0.1446 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3346 0.7706 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8639 0.9024 -1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 1.5461 -1.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5241 2.9025 -0.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 3.6347 -0.8527 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 3.8454 -2.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 4.5291 -2.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8083 3.8829 -1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1984 2.7618 -1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4743 1.5466 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.4746 -0.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 0.3981 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8803 -0.7575 0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -0.8748 0.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7335 -2.0020 1.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1054 -2.1574 1.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5472 -3.2989 2.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9242 -3.4354 2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 -2.4849 2.4376 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4065 -4.6226 3.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3680 -3.2342 2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1835 -1.7397 3.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8991 -2.6778 2.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9377 -0.6915 1.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4164 -1.0127 2.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1673 -3.2195 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6423 -2.8953 0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6499 -1.2973 -1.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8207 -2.8500 -1.2664 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4070 -1.0193 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8322 -1.8197 -0.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1518 0.2467 1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4068 0.8011 -0.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6621 0.1353 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4422 1.7568 0.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5407 1.5063 -1.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7001 -0.1042 -1.8002 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1521 1.5066 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8219 0.8370 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3601 3.5057 -1.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7404 2.7790 0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4749 4.6809 -0.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5136 3.2645 -0.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 4.5182 -2.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3931 2.8824 -2.7968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5294 5.6025 -1.8661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 4.7477 -3.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6965 4.6517 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2922 2.7189 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4338 1.4689 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3964 -0.4161 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1346 1.1849 -0.2570 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 -1.6192 0.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9259 -0.0320 0.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0632 -2.8702 1.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7755 -1.3179 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8769 -4.1432 2.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2768 -4.6833 3.5763 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 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 3 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 3 33 1 0 4 34 1 0 4 35 1 0 5 36 1 0 5 37 1 0 6 38 1 0 6 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 9 45 1 0 10 46 1 0 10 47 1 0 11 48 1 0 11 49 1 0 12 50 1 0 12 51 1 0 13 52 1 0 13 53 1 0 14 54 1 0 15 55 1 0 16 56 1 0 17 57 1 0 18 58 1 0 19 59 1 0 20 60 1 0 21 61 1 0 22 62 1 0 23 63 1 0 26 64 1 0 M END