HMDB0115197 RDKit 3D PA(20:4(8Z,11Z,14Z,17Z)/24:1(15Z)) 139138 0 0 0 0 0 0 0 0999 V2000 -17.2594 0.3973 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0922 0.5325 -0.2473 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6710 0.6784 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9608 -0.1632 -1.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4933 -1.3156 -1.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1337 -2.6765 -1.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2973 -3.2318 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3103 -2.6286 0.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0064 -3.2876 -0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8596 -2.8738 -0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3692 -1.5682 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2308 -0.4303 -0.8394 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2403 0.6364 -0.1142 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3450 0.8723 1.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5131 2.1398 0.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6390 2.3961 1.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6605 1.4326 2.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5375 0.9966 1.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7903 0.2423 0.2820 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4349 -0.1129 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9363 -1.2545 -0.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 0.7710 -1.0780 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4795 0.5532 -1.6959 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4119 0.1692 -0.7283 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1700 1.1764 0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3162 1.4288 1.0971 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0454 2.5403 2.3420 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.6037 3.0274 2.3237 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3806 1.8237 3.8557 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0992 3.8395 2.1430 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1653 -0.0491 -1.4116 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -1.2262 -1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9088 -2.1998 -0.7509 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8314 -1.2868 -2.1423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7040 -0.2133 -1.3928 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8224 -0.6275 0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 0.3099 0.9313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8747 0.7367 0.7827 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3150 1.4751 -0.4133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.8875 -0.2092 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6844 0.7101 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 -0.2181 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5581 -1.3899 -0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9637 -0.9295 -0.7402 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9110 -2.1000 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3428 -1.5277 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3426 -0.6101 0.8460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6814 0.6345 0.7789 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1233 1.3133 -0.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4792 1.9272 -0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5663 0.9823 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8174 0.0028 -0.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9008 -0.9754 -0.5575 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1843 -0.2704 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2012 -1.3595 0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5254 -0.7376 0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4321 0.9206 1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2588 -0.6644 1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1939 0.9062 1.5787 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5730 1.5417 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6784 -0.1836 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1660 1.5429 -0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9217 0.1382 -1.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3724 -1.1298 -3.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6390 -1.2139 -1.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7568 -3.4428 -2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2206 -4.3843 -0.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2775 -1.5467 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6857 -2.9128 1.0833 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1354 -4.4364 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0549 -3.6991 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5155 -1.2832 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7572 -1.6132 -1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9592 -0.4251 -1.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9592 1.4728 -0.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0293 1.1525 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6340 0.1166 1.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2544 3.0139 0.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0241 2.1199 -0.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3097 2.6929 2.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0693 3.3659 1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1445 0.4756 2.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2616 1.8625 3.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 1.8954 1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8686 0.3489 2.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2535 -0.7676 0.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3999 0.7208 -0.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2111 1.4784 -2.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 -0.3023 -2.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6677 -0.7823 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8609 2.1515 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 0.8040 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 0.8315 3.6999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6227 3.9915 2.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2860 -2.2607 -2.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7137 -1.0149 -3.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2585 0.7751 -1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 -0.2550 -1.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 -1.5908 0.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 -0.9788 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 -0.1038 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7980 1.2525 0.9553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5154 -0.2044 0.8239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2224 1.3318 1.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7798 2.4340 -0.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2867 0.9157 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8453 2.5966 0.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0631 2.4131 -1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7346 1.1102 0.1636 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 0.1397 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9856 0.3309 -2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6394 -0.5911 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 -2.1125 -1.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1844 -1.9166 -0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3059 -0.3731 -1.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1193 -0.2508 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9227 -2.8255 -1.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5971 -2.5737 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9484 -2.4292 -0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 -1.1696 -1.2347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0289 -1.0111 1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6446 1.2583 1.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4248 2.2050 -0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0382 0.7688 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3545 2.6558 0.6321 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7435 2.5426 -1.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3133 0.4781 1.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5138 1.5900 0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1784 0.6126 -1.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9162 -0.5224 -1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0360 -1.7550 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6023 -1.5354 0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0368 0.3699 0.6440 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5187 0.3298 -1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2018 -2.0785 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8091 -1.8935 0.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7641 0.1448 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5786 -0.4418 1.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3231 -1.4930 0.2100 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 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 27 30 1 0 24 31 1 0 31 32 1 0 32 33 2 0 32 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 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 0 23 89 1 0 24 90 1 1 25 91 1 0 25 92 1 0 29 93 1 0 30 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 48122 1 0 49123 1 0 49124 1 0 50125 1 0 50126 1 0 51127 1 0 51128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 54133 1 0 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 56139 1 0 M END