HMDB0007314 RDKit 3D DG(18:3(9Z,12Z,15Z)/20:3(8Z,11Z,14Z)/0:0) 114113 0 0 0 0 0 0 0 0999 V2000 13.5282 0.2578 1.8220 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2652 1.2773 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1318 0.6450 -0.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9837 0.8144 -1.3238 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9531 1.6423 -1.9836 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0956 0.8318 -2.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8025 0.7300 -2.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0562 1.3929 -1.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4224 0.3032 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1416 0.2380 -0.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1694 1.1586 -1.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1278 0.5295 -2.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 -0.5731 -1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6525 -0.0489 -0.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 -1.0415 0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7607 -1.7626 0.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -0.9544 -0.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0036 -0.1259 0.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 1.1172 0.6219 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3180 -0.6902 1.7101 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7701 0.0827 2.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2822 1.0040 2.1906 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8954 1.7141 3.4290 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0792 2.5068 3.9895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2854 0.1981 1.6300 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8069 0.3016 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3750 1.1936 -0.3966 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8761 -0.6008 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8877 -1.9278 0.5479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0691 -1.9499 1.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1683 -1.3630 2.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5791 -1.6822 2.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4771 -1.4515 1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2749 -2.0667 0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1991 -2.9558 -0.1810 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3902 -3.3625 0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6934 -3.0556 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9962 -2.3582 -1.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2155 -1.6677 -2.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3199 -0.2171 -2.2106 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9924 0.6389 -1.5322 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8539 0.4328 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2870 0.8687 -0.7061 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3689 2.3264 -1.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8436 2.6460 -1.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9575 4.0894 -1.7348 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1219 -0.0723 2.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5950 0.7040 2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3216 -0.6744 1.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6177 2.0228 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9230 1.8417 1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9720 -0.0213 0.2643 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6900 0.2949 -2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4629 2.3932 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5745 2.2740 -2.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5751 0.3006 -3.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2662 0.0974 -3.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3787 2.1622 -1.9573 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7311 1.9319 -0.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0951 -0.4681 -0.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7799 -0.6176 -0.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6235 1.6236 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5527 2.0233 -1.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5269 0.1641 -3.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3742 1.3166 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 -0.8456 -2.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9837 -1.4459 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1186 0.9099 -0.3121 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4912 0.2634 0.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6178 -1.7709 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5127 -0.4971 1.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.5258 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1006 -2.3572 -0.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7962 -1.6861 -0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7900 -0.3811 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5788 0.6921 3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2808 -0.5900 3.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1304 1.7564 1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7703 2.3144 3.1092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1471 0.9063 4.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5749 3.0261 3.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8744 -0.0941 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.7771 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4873 -2.6485 0.0088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7980 -2.3130 0.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0601 -1.7448 2.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1207 -3.0964 2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9054 -1.4397 3.8785 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1217 -0.1975 2.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1177 -1.3398 3.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6311 -2.8420 2.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3750 -0.2870 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5740 -1.4298 1.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4739 -1.8602 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9597 -3.4429 -1.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3333 -4.5346 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3272 -3.1877 1.6384 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5951 -3.4640 0.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1374 -2.3279 -1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5790 -2.0666 -3.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1303 -1.9811 -2.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7184 0.2412 -3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9249 1.7321 -1.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5256 1.1943 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9228 -0.5375 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6669 0.1923 -1.4799 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8528 0.6885 0.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0424 2.9467 -0.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7722 2.5500 -1.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3987 2.4649 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2143 1.9482 -2.1478 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1894 4.2386 -2.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7833 4.6030 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0211 4.6611 -1.5468 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 1 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 22 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 2 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 12 65 1 0 13 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 15 71 1 0 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 21 76 1 0 21 77 1 0 22 78 1 6 23 79 1 0 23 80 1 0 24 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 29 85 1 0 30 86 1 0 30 87 1 0 31 88 1 0 31 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END