HMDB0266777 RDKit 3D PA(P-16:0/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 119119 0 0 0 0 0 0 0 0999 V2000 14.4265 1.4828 2.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1804 0.9511 0.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9139 -0.4845 0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3487 -1.0676 -0.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9072 -0.3421 -1.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4109 -0.5251 -1.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2157 -2.0118 -1.9210 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6401 -1.2518 -0.8007 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 -1.2444 -0.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5799 -2.0845 0.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8537 -1.7044 1.2911 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3737 -0.3775 1.6272 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7360 0.7773 0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9098 1.5719 0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4266 1.3861 0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7694 2.5661 0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9636 2.5361 1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6247 1.3240 2.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1545 1.1315 2.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 0.0744 1.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3695 -1.0313 1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0755 -1.2474 -0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6771 -1.5764 -0.5099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2604 -2.7628 -0.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7427 -0.6076 -0.8008 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6327 -0.9348 -1.0222 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0219 -0.4270 -2.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2794 -0.6954 -2.8210 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5318 -0.4084 -2.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1496 0.6939 -2.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5312 1.0160 -2.2228 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1382 -0.0397 -1.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5148 0.2911 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5237 0.4789 -2.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6987 -0.7011 -2.8843 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1106 -1.9997 -2.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4293 -2.2196 -1.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6812 -1.4213 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0626 -1.7784 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3058 -0.9620 1.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2906 0.5195 1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5704 1.2542 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5452 2.7517 2.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5530 3.1959 1.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4477 -0.3440 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0022 -0.9297 1.3099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -0.3612 2.6469 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0313 -1.2590 2.8931 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3965 1.2184 2.4538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 -0.4648 3.9813 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4381 1.8794 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3675 0.6701 2.8011 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0416 2.2891 2.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2843 1.0518 1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9785 1.5596 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2191 -1.1171 1.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2014 -2.1573 -0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3762 -0.8895 -2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1599 0.7089 -1.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9731 0.0307 -2.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0845 -1.5228 0.1835 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8238 -1.8630 -1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6533 -0.3010 -0.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 -3.1922 0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5625 -2.5606 1.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2652 -0.4485 1.8388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7800 -0.1726 2.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8036 1.0508 0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3783 2.4155 -0.3491 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1010 0.4098 0.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1931 1.4115 -0.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0155 3.5187 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4985 3.4742 2.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8418 1.5302 3.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1260 0.4120 2.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4850 1.9091 2.7424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 0.0222 1.7374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4389 -1.0955 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9736 -1.9831 1.6646 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4448 -0.4199 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6886 -2.1418 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7159 -2.0329 -0.9215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8641 0.6972 -2.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2874 -0.8842 -3.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 -1.1445 -1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6202 1.4009 -3.3379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1303 1.2405 -3.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4373 1.9995 -1.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0510 -1.0537 -1.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5074 -0.1060 -0.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8933 -0.4307 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4510 1.2654 -0.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3814 1.0236 -1.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0123 1.2720 -2.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7810 -0.8493 -3.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4770 -0.3962 -3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0289 -2.7755 -3.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3531 -2.4332 -1.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2701 -2.0434 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5307 -3.3130 -1.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7237 -0.3686 -0.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9219 -1.6248 0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8097 -1.6570 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0638 -2.8521 0.3382 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3027 -1.2180 1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5418 -1.2060 2.0481 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2725 0.8820 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0747 0.8231 0.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8267 1.0571 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5992 0.9836 2.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5326 3.0401 1.6873 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7505 3.2364 3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9974 4.1653 1.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3824 2.5003 0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0724 3.4874 0.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1914 0.7524 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5255 -0.3802 -0.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 1.2603 1.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3448 -0.7515 4.7552 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 26 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 8 6 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 13 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 20 77 1 0 21 78 1 0 21 79 1 0 22 80 1 0 22 81 1 0 26 82 1 6 27 83 1 0 27 84 1 0 29 85 1 0 30 86 1 0 31 87 1 0 31 88 1 0 32 89 1 0 32 90 1 0 33 91 1 0 33 92 1 0 34 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 49118 1 0 50119 1 0 M END