HMDB0263729 RDKit 3D PA(18:1(11Z)/20:4(5Z,8Z,11Z,13E)+=O(15)) 120119 0 0 0 0 0 0 0 0999 V2000 -15.2076 0.4841 1.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9504 0.5013 0.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4353 0.0657 -0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5829 -0.0160 -2.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4271 -0.9089 -2.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2392 -0.6445 -1.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6504 0.6587 -1.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4397 1.6505 -0.8668 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7363 1.6784 0.5706 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 1.9316 1.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4582 0.8108 1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2516 1.1118 1.9889 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 0.0884 1.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6793 0.0404 0.4425 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5963 -0.9978 0.2498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3885 -0.8104 1.0848 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6183 0.4435 0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0712 0.6550 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6742 1.4351 -1.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 0.0394 -0.9123 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3323 0.1720 -2.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8633 -0.7769 -2.1577 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4034 -2.2118 -1.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -2.4103 -0.7486 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7134 -4.0438 -0.6318 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7724 -4.5020 0.7858 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4151 -4.9230 -1.5629 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2139 -4.1701 -1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7747 -0.5017 -1.1253 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1057 -0.2651 -1.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6135 -0.2770 -2.5094 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9978 0.0195 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1239 0.2327 1.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9977 0.5160 2.2914 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 -0.6468 2.5228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1250 -0.7130 2.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1328 0.3175 2.4295 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7834 1.7038 2.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 2.3876 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8474 1.8719 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0744 2.6952 -0.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2923 2.2279 -0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5487 0.8273 0.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 0.4556 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1359 -0.9479 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1873 -1.8019 0.5558 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5044 -1.4979 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5235 -0.5874 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2956 -0.3706 -1.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3391 0.5712 -2.1197 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7174 0.0032 -1.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6146 -0.5316 1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9206 1.2624 0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8803 0.6317 2.3213 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3139 -0.2577 0.8209 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5598 1.5255 0.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8797 -0.9939 -0.8075 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3650 0.6917 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2894 1.0524 -2.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2788 -0.2686 -3.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0429 -0.9301 -3.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7582 -2.0005 -2.0417 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4662 -0.7926 -0.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4878 -1.4679 -1.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3739 0.7721 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9954 2.5641 -1.3049 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4143 2.5316 0.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1979 0.7737 0.9685 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0107 2.9088 1.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7193 1.9347 2.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2153 0.7759 0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9061 -0.1259 1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8570 2.0991 1.6124 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5732 1.3005 3.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3700 0.2675 2.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6314 -0.8945 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3726 1.0252 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5300 -0.3026 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3185 -0.9933 -0.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0439 -1.9742 0.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6981 -1.6746 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5843 -0.9473 2.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7396 0.3988 1.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 1.3491 1.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0119 -0.1167 -2.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0249 1.1843 -2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 -0.7320 -3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3174 -2.8419 -1.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3195 -2.4777 -2.7653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6441 -5.7556 -1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -4.9927 -1.0588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 -0.8233 0.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5600 0.9593 -0.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4419 1.0983 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5184 -0.6768 1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2752 0.6912 3.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4465 1.4706 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2371 -1.5977 2.6705 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5075 -1.7689 2.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7870 0.2588 3.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9024 -0.0279 1.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2476 2.2661 3.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7718 3.4380 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2151 2.1878 -0.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0473 0.8203 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9804 3.7734 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1289 2.9317 -0.1443 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8077 0.0634 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6321 1.1582 0.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5849 -2.4944 0.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7677 -1.6696 1.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5322 -1.0444 0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5580 0.3661 0.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2705 -0.0467 -1.7687 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4136 -1.3545 -2.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1657 0.7016 -3.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2705 1.5439 -1.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9618 0.0984 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4820 0.5845 -2.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6923 -1.0656 -2.2253 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 1 0 6 7 1 0 7 8 2 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 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 0 21 86 1 0 22 87 1 6 23 88 1 0 23 89 1 0 27 90 1 0 28 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 34 96 1 0 34 97 1 0 35 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 42107 1 0 43108 1 0 44109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 50116 1 0 50117 1 0 51118 1 0 51119 1 0 51120 1 0 M END