HMDB0115030 RDKit 3D PA(18:4(6Z,9Z,12Z,15Z)/16:0) 111110 0 0 0 0 0 0 0 0999 V2000 10.5498 3.3317 3.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9467 2.8567 1.9992 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6452 3.9770 1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2113 4.5205 0.2434 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0084 4.1256 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 3.7407 -1.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2097 2.5699 -2.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5540 1.4422 -1.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4037 0.2402 -1.6565 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1216 -0.9218 -2.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9621 -1.3040 -2.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8989 -0.4160 -3.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6113 -0.4505 -2.9562 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0942 -1.4899 -2.0792 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0321 -2.3810 -2.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -1.7486 -3.0443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0745 -0.9500 -1.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7757 -1.7332 -0.7464 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0077 -2.9445 -0.5845 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2028 -1.0424 0.2880 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8223 -1.4456 1.5371 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7238 -2.4061 1.7618 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9054 -3.7981 1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1016 -4.6073 1.8701 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1251 -6.1794 1.2275 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.2191 -6.7925 0.9242 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9808 -7.1351 2.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9841 -6.0458 -0.2461 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5501 -1.9819 1.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 -1.6838 2.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3065 -1.7623 3.4544 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 -1.2826 1.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6606 -0.7759 2.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -0.4032 2.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8790 -1.6060 2.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2815 -1.4787 1.7825 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2938 -0.9135 2.6891 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2372 0.5061 3.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2624 1.5482 2.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4354 1.6747 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6907 0.5032 0.2358 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9107 0.7416 -0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7671 1.9014 -1.5756 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0493 2.0325 -2.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8174 3.1970 -3.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5458 4.4891 -2.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0937 2.4506 3.9238 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4234 3.7157 3.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7644 4.1003 3.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0487 2.5162 1.5188 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6130 1.9606 2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5736 4.3797 1.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8304 5.3663 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2998 3.4993 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4238 5.1377 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 4.5106 -2.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5409 2.3896 -3.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5577 1.7815 -0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4945 1.3190 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3772 0.2918 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8815 -1.7357 -2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2880 -1.8149 -3.9296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5286 -2.2199 -2.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1133 0.4456 -4.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 0.3024 -3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5940 -0.9909 -1.1534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 -2.1351 -1.5783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9014 -3.2415 -1.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4355 -2.9153 -3.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 -1.0640 -3.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -2.5339 -3.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6043 -0.0317 -1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0878 -0.6204 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5714 -0.5233 2.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7856 -1.8329 2.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5914 -2.5230 2.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8586 -4.2828 1.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6820 -3.7897 0.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7897 -8.0926 2.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9478 -6.9231 -0.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7811 -0.4590 0.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3408 -2.1217 1.2000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5988 -1.4266 3.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 0.2024 3.2184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0965 0.3811 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5115 -0.1089 3.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3270 -1.9901 1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6957 -2.4580 2.9010 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2956 -1.0070 0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6425 -2.5403 1.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0030 -1.4409 3.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3215 -1.2882 2.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5131 0.8090 3.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2381 0.6798 3.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2013 2.5441 2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3132 1.5816 1.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3189 1.8929 1.7853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2993 2.5624 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8247 -0.4517 0.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7774 0.3945 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8009 0.8495 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0218 -0.1834 -1.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9430 1.6983 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6446 2.8759 -1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3018 1.1295 -2.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8589 2.3592 -1.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9362 2.9862 -4.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7286 3.3025 -3.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0553 5.3187 -3.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4636 4.7692 -2.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8708 4.5247 -1.5868 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 2 0 18 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 2 0 25 27 1 0 25 28 1 0 22 29 1 0 29 30 1 0 30 31 2 0 30 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 44 45 1 0 45 46 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 10 61 1 0 11 62 1 0 11 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 21 74 1 0 21 75 1 0 22 76 1 1 23 77 1 0 23 78 1 0 27 79 1 0 28 80 1 0 32 81 1 0 32 82 1 0 33 83 1 0 33 84 1 0 34 85 1 0 34 86 1 0 35 87 1 0 35 88 1 0 36 89 1 0 36 90 1 0 37 91 1 0 37 92 1 0 38 93 1 0 38 94 1 0 39 95 1 0 39 96 1 0 40 97 1 0 40 98 1 0 41 99 1 0 41100 1 0 42101 1 0 42102 1 0 43103 1 0 43104 1 0 44105 1 0 44106 1 0 45107 1 0 45108 1 0 46109 1 0 46110 1 0 46111 1 0 M END