HMDB0288788 RDKit 3D PC(24:1(15Z)/18:3(9,11,15)-OH(13)) 153152 0 0 0 0 0 0 0 0999 V2000 2.3371 3.8727 9.9712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9399 3.3709 8.6912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3222 2.1072 8.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7324 2.0575 7.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0923 0.8603 6.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 1.2099 6.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 2.3250 5.2837 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0130 0.1412 5.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -0.0183 4.1036 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0838 -1.0170 3.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5659 -1.1078 1.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0375 -2.0885 0.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0600 -3.0435 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7008 -3.9261 1.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6454 -3.2198 2.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -4.1876 3.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2416 -3.5078 4.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4477 -2.8318 3.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4735 -1.7355 2.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 -1.9720 1.5815 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0111 -0.4399 2.8929 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1593 0.5485 1.8920 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2118 1.5437 2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5262 2.5801 1.5552 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0457 2.5536 0.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2613 1.4278 -0.2190 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3689 3.7673 -0.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8681 3.4718 -1.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0673 2.7197 -2.8384 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 3.2081 -3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7440 3.5594 -2.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 3.9198 -3.0353 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7710 2.7886 -3.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4094 3.2946 -4.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3870 2.2810 -4.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1536 1.7864 -6.2553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7463 0.7233 -6.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8207 -0.5073 -6.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7387 -1.5849 -6.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 -1.1481 -6.7210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1652 -1.7208 -6.1153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 -2.8809 -5.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4715 -2.5251 -3.8455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2441 -3.6858 -2.9052 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9542 -4.9406 -3.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4253 -4.7131 -3.3570 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1907 -5.9562 -3.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8055 -6.4030 -5.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 -5.3565 -6.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 1.1925 1.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1266 1.8836 2.2067 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8955 2.6482 1.3197 P 0 0 0 0 0 5 0 0 0 0 0 0 1.0852 4.1491 1.5538 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1478 2.3888 -0.3398 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.6627 2.1670 1.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 1.8910 0.5081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7233 1.4849 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6473 2.4029 1.1373 N 0 0 0 0 0 4 0 0 0 0 0 0 -4.5398 1.7426 2.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5521 2.8267 0.0537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1130 3.5972 1.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6595 3.2807 10.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2427 3.9658 9.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7475 4.8974 10.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8730 4.1742 7.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 3.2248 8.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3454 1.2157 8.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7284 2.9930 6.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1752 -0.0170 7.0880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5455 0.6909 5.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 1.4090 7.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5270 2.3919 4.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7832 -0.4522 5.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2478 0.6250 3.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 -1.6877 3.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2327 -0.4050 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5344 -1.5711 0.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8826 -2.6823 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6375 -2.5431 -0.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6681 -3.7435 -0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3420 -4.5903 0.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0069 -4.6127 1.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -2.4151 2.7800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4676 -2.8106 1.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 -4.9613 2.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 -4.6339 3.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5725 -4.2506 4.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6514 -2.7707 4.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -2.5077 4.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1748 -3.6717 3.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7202 0.0231 1.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7812 1.9991 3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1031 0.9643 2.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2853 4.2634 0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6341 4.5611 -0.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9082 2.9968 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1556 4.4715 -2.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 2.5149 -3.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8978 1.6563 -2.4907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 4.0894 -4.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3996 2.4421 -4.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6682 2.8323 -1.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0631 4.5497 -1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5200 4.8248 -3.6709 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7295 4.2162 -2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6840 1.8994 -3.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3669 2.6211 -4.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5719 4.2342 -4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1541 3.5586 -3.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 1.4042 -4.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4093 2.7323 -5.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 1.4224 -6.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1158 2.6419 -6.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3206 0.3831 -7.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 1.1370 -7.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2791 -0.2712 -5.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1722 -0.9169 -5.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 -2.5638 -6.2065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3614 -1.6448 -7.6910 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3538 -0.2868 -7.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1811 -1.3475 -6.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9752 -3.2709 -5.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6519 -3.7409 -5.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5208 -2.2232 -3.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8901 -1.6667 -3.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1362 -3.9173 -3.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4487 -3.4155 -1.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5504 -5.3186 -4.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7370 -5.7872 -2.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6737 -3.8445 -3.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -4.4937 -2.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9499 -6.7673 -3.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2687 -5.7444 -3.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7431 -6.7223 -5.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4044 -7.2984 -5.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1372 -5.1971 -6.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8215 -5.7389 -6.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5129 -4.4247 -5.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2260 1.8278 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 0.3863 0.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.0700 0.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1214 2.7728 -0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 1.2039 -0.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7869 0.5362 1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 1.1719 2.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 2.5300 2.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 1.1016 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5452 3.0649 0.4439 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 1.9867 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1176 3.6957 -0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8206 4.4677 1.5450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 3.9223 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 3.4576 2.8267 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 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 1 0 19 20 2 0 19 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 27 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 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 47 48 1 0 48 49 1 0 22 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 52 54 1 0 52 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 58 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 6 23 92 1 0 23 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 46130 1 0 46131 1 0 47132 1 0 47133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 59145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 60150 1 0 61151 1 0 61152 1 0 61153 1 0 M CHG 2 54 -1 58 1 M END