HMDB0266633 RDKit 3D PA(8:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 92 91 0 0 0 0 0 0 0 0999 V2000 -9.0613 3.5816 -2.6635 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3268 2.8189 -1.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3258 1.6712 -1.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4850 0.8396 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4284 -0.2746 -0.1339 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6110 -1.1227 -1.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8559 -2.4034 -1.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9920 -3.2340 -0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9889 -4.2899 -0.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0447 -4.5785 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6170 -4.0067 1.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2777 -2.9236 2.5967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7790 -1.7367 2.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4284 -1.3951 2.4877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -0.1993 2.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5408 0.0596 2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0434 1.2009 2.5699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7252 -0.9881 1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3685 -0.4894 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3709 -1.6312 0.6090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7244 -1.2696 0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5421 -2.1656 -0.1820 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 0.0526 0.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 0.3377 -0.2682 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0970 1.1565 0.8329 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4359 1.4477 0.4653 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2039 2.2178 1.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6860 2.6357 2.3805 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5919 2.5341 0.9709 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1492 1.6182 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 0.2075 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6867 -0.7938 -0.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1062 -0.6221 -1.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0632 -0.6705 0.1608 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 -0.5017 -0.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 1.2282 -1.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 2.3976 -1.1460 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 3.4325 -2.4757 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0585 3.5291 -2.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3074 2.7771 -3.8425 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1177 4.9766 -2.1663 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8834 4.2958 -2.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8229 2.9186 -3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1418 4.2044 -2.5148 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2051 3.5120 -0.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3254 2.3740 -1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3340 2.1205 -1.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5900 1.0495 -2.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4692 0.3044 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3812 1.4222 0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4245 -0.8119 0.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4443 0.2719 -0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5243 -0.6288 -2.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9728 -2.9146 -2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9185 -2.6689 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0391 -3.6946 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1042 -4.9200 -1.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -5.4718 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5689 -4.8758 2.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4933 -3.7873 1.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3229 -3.0780 2.9807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4188 -0.9909 3.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -2.0809 1.9838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4857 0.5562 3.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -1.8353 2.3599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2913 -1.3824 0.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 0.3583 0.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 -0.1688 2.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3429 -2.4788 1.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2384 -1.9267 -0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0079 -0.5975 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4857 2.0871 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0261 0.6589 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2235 2.3553 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 3.6095 0.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1163 2.0260 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4647 1.7589 -0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7410 0.1602 1.3072 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1342 -0.1018 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6091 -1.8000 -0.1253 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0689 -0.8637 -1.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3638 -1.5336 -1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3126 0.2314 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7875 0.0896 0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0029 -1.6481 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6767 -1.3199 -1.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5537 0.4489 -0.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1754 -0.5690 0.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3536 1.4264 -1.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7536 0.6762 -2.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2710 2.7691 -3.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 5.0401 -2.3441 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 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 2 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 24 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 38 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 6 25 72 1 0 25 73 1 0 29 74 1 0 29 75 1 0 30 76 1 0 30 77 1 0 31 78 1 0 31 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 40 91 1 0 41 92 1 0 M END