HMDB0286389 RDKit 3D PC(18:1(11Z)/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)) 141140 0 0 0 0 0 0 0 0999 V2000 1.7889 -8.4205 0.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 -8.6049 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1545 -9.0610 0.8632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2837 -8.4376 1.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5916 -7.1453 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8463 -6.1544 1.5206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9928 -5.5103 1.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1135 -5.6921 0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7221 -4.6982 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4139 -3.4778 -0.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2837 -2.7674 0.3617 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3573 -2.2216 -0.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1720 -0.9251 -0.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8038 0.0313 0.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 1.3187 0.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6964 1.9382 -0.9158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1176 3.2500 -1.1374 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2541 1.9273 -0.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3093 2.5811 -1.2966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 3.6226 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 4.2309 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3434 4.1747 1.0713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 4.9781 0.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5339 5.7568 -0.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 4.8744 0.8616 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1122 5.5934 0.3717 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8248 6.4397 1.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 5.8661 2.4844 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4358 5.0175 2.6627 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0443 4.6737 1.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9662 4.4536 3.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2846 3.3723 4.6049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0173 2.0861 3.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0882 2.0846 2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7010 2.5565 3.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 1.6709 4.1847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 0.2406 3.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0305 0.2264 2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2405 -1.1668 1.8710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0539 -1.7464 1.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3286 -2.0397 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4160 -1.8378 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 -3.1577 -1.6302 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4303 -3.7386 -2.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0952 -2.7655 -3.1193 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2051 -2.4324 -4.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -1.4382 -5.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0238 4.8482 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3179 4.5281 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3339 3.7470 -2.7840 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.5536 3.3438 -4.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5547 4.8234 -3.2983 O 0 0 0 0 0 1 0 0 0 0 0 0 -4.0303 2.3371 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2688 2.0926 -2.7757 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9357 0.8513 -2.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2216 0.8253 -0.8817 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.3517 -0.0422 -0.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0522 0.2300 -0.2311 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4331 2.0988 -0.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 -9.0324 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -7.3648 1.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8774 -8.7266 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1847 -7.7212 -0.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8034 -9.4932 -0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9724 -10.0372 1.3769 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0032 -8.9244 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7554 -6.7734 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 -7.3189 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0173 -5.9534 2.2276 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0366 -4.8537 2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1084 -6.7165 0.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9951 -5.9491 1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6419 -5.1052 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0821 -2.9243 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7013 -3.3073 1.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7272 -1.9193 0.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8612 -2.8840 -1.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4733 -0.5554 -1.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 -0.2439 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1009 1.9926 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 1.3931 -1.8549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0644 3.1638 -1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9801 0.8420 -0.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2978 2.3800 0.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2262 2.1457 -2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9210 4.0391 -1.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 3.9654 1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8516 5.3635 0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5143 4.6221 2.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9462 3.1400 1.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6001 6.3429 -0.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6569 7.0160 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0842 7.2569 1.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0604 4.1809 3.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0323 5.3295 4.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3796 3.8092 5.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9488 3.1224 5.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9872 1.6648 3.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 1.3862 4.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4354 2.5791 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 1.0028 2.4727 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7151 3.5770 3.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0920 2.5739 2.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6124 1.6089 5.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0169 2.0431 4.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8171 -0.2046 3.5322 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2671 -0.2779 4.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 0.6771 2.5995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 0.7866 1.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5847 -1.7959 2.7617 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0533 -1.2333 1.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 -1.9489 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3273 -2.4755 -0.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5693 -1.4136 -0.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8834 -1.1782 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2709 -3.8643 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 -3.0393 -2.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1036 -3.9955 -1.3512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1797 -4.6549 -2.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4824 -1.8852 -2.6070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9945 -3.2914 -3.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 -3.3481 -4.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 -1.9629 -3.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6307 -1.4987 -6.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 -1.5355 -5.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6852 -0.4189 -4.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8893 5.4447 -0.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 3.8581 -0.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0330 1.9660 -3.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 2.9598 -2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9215 0.7446 -2.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3573 -0.0642 -2.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3009 0.5137 -0.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1928 -0.4070 0.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3183 -0.9096 -1.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5336 -0.4461 -0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3187 0.9900 0.1152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3788 -0.3647 0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9137 2.9468 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1282 2.0939 0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5348 2.3000 -0.2584 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 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 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 2 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 26 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 6 27 92 1 0 27 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END