HMDB0263101 RDKit 3D PA(20:3(8Z,11Z,14Z)-2OH(5,6)/14:1(9Z)) 113112 0 0 0 0 0 0 0 0999 V2000 -12.6446 -0.7753 2.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6599 0.1894 0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4295 -0.5251 -0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4539 0.4940 -1.5574 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2352 -0.1070 -2.8567 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2518 0.1899 -3.6480 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2382 1.1856 -3.3032 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8453 0.5625 -3.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8084 1.5684 -2.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4093 1.0381 -2.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2759 -0.0905 -1.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6825 0.2914 -0.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9482 1.4015 0.2080 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 1.2108 0.4149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8456 2.0594 1.1079 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7741 0.1442 -0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3682 0.0664 0.1968 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6335 0.1086 -1.1159 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2268 0.0488 -0.9294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5054 0.9887 -0.2254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1095 1.9549 0.2736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9644 0.8886 -0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5375 1.9587 0.8588 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0527 1.9354 2.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3168 0.7316 3.0797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8343 -0.4679 2.5906 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 0.5739 3.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 1.7925 4.2006 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 -0.3411 3.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1466 -0.0843 1.8345 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4036 0.1753 1.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4478 0.2354 2.6370 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4400 -0.7975 2.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6947 -0.5390 2.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3000 0.7572 2.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9210 1.4174 1.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0243 1.0677 -0.1619 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5012 -0.1501 -0.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6879 -0.9582 -1.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4627 -0.2159 -2.3434 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5932 -1.1335 -2.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1053 -2.4208 -3.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0805 -1.2269 0.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4558 -2.3312 0.1597 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1294 -3.7581 1.0186 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6889 -3.6712 1.5208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2476 -5.1279 0.0558 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 -3.8954 2.3644 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9890 -0.4273 2.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2750 -1.7871 1.7585 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6884 -0.8303 2.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5693 0.8040 0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7676 0.8695 1.0372 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4414 -1.0231 -0.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1856 -1.3203 -0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8445 1.3256 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5306 0.8684 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9528 -0.8666 -3.1925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1271 -0.3032 -4.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1836 1.8775 -4.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4265 1.8463 -2.4714 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5683 0.1518 -4.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8759 -0.3038 -2.5724 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8549 2.4040 -3.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1177 2.0085 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1883 0.5890 -3.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6520 1.8269 -2.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9804 -0.8942 -2.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 -0.5058 -1.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7987 0.4384 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5079 -0.6256 0.2084 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3979 1.5257 1.2395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1252 2.3949 -0.2690 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0627 0.9035 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8707 1.0565 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8967 -0.7588 -1.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2259 -0.1527 0.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4723 0.9772 -1.0258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1165 2.9291 0.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6068 2.0486 0.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 2.8754 2.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 2.0850 2.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5725 0.8578 4.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9435 -1.1319 3.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3720 0.0626 4.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4073 2.3974 3.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3989 -0.6676 3.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 -1.3462 3.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4942 -0.1148 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7576 0.3634 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8190 1.2832 2.5928 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1218 0.0777 3.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0511 -1.8452 2.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3551 -1.4329 1.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6553 1.4516 2.8066 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1923 0.6478 2.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4023 2.4226 1.3236 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5663 1.7357 -0.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -0.8145 -0.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9617 0.1994 -1.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3983 -1.2175 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2826 -1.9035 -1.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7801 -0.0175 -3.1966 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9472 0.6669 -1.9235 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1468 -0.5478 -3.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2483 -1.2754 -1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9888 -3.1475 -2.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1495 -2.2342 -3.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9032 -2.7910 -4.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0413 -1.2572 1.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7306 -1.2396 1.8569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8948 -4.9097 -0.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 -4.0514 1.9884 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 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 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 17 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 1 18 75 1 0 18 76 1 0 22 77 1 0 22 78 1 0 23 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 25 83 1 0 26 84 1 0 27 85 1 0 28 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 34 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 47112 1 0 48113 1 0 M END