HMDB0112897 RDKit 3D PS(24:0/20:3(8Z,11Z,14Z)) 154153 0 0 0 0 0 0 0 0999 V2000 -2.4456 -8.0089 2.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -7.3619 1.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2808 -7.6579 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 -7.0960 0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4464 -5.5709 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9331 -4.9908 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -4.2012 1.1866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7364 -3.8139 0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 -2.3644 -0.1569 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7630 -1.6004 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1307 -2.1398 -0.0162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8454 -1.7788 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9220 -1.0933 -1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6343 -0.5478 -0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8024 0.9413 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6870 1.8547 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8663 2.2887 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 1.5633 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7602 0.7063 2.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6770 0.1172 3.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -0.8136 4.4907 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 0.6339 3.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3591 0.1691 4.4416 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2086 -0.2483 3.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1087 -0.7357 4.3547 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -1.1431 3.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.0481 2.4388 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2626 -1.6655 4.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 -0.5185 4.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5329 -0.9984 5.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4604 0.1428 5.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6718 0.9833 4.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1446 0.2246 2.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3473 1.1356 1.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0885 1.9046 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2524 2.7613 0.1649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 3.5923 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0381 4.3961 -1.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1136 3.4963 -2.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8755 2.6396 -2.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 1.7409 -3.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9116 0.7394 -3.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7594 -0.1365 -5.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4562 -0.8820 -5.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2549 -1.7797 -6.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8975 -2.4697 -6.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -3.3674 -7.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7702 -3.9946 -7.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1539 -4.9040 -8.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2394 -4.1668 -9.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8115 1.2926 5.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3608 2.3307 4.4869 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7282 3.6148 5.3622 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6929 3.2678 5.8041 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 4.0081 6.7257 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6775 4.9489 4.2998 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3140 6.1244 4.9400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3053 7.2176 3.8726 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6490 6.8881 2.8215 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6361 7.3675 3.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5963 7.6766 4.0275 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9209 7.2045 1.9297 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4196 -7.5114 2.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5264 -9.0834 2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8258 -7.8341 3.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1580 -7.7443 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9176 -6.2555 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1351 -7.4703 2.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2077 -8.7828 1.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1125 -7.5444 -0.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5640 -7.4083 0.1095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 -5.3366 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9378 -5.3387 -1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3591 -5.2747 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2786 -3.7952 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 -4.2866 -0.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7684 -4.2251 0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6757 -1.9286 -0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5758 -0.5355 -0.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 -1.6251 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2093 -3.2255 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3377 -2.1717 -2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3698 -0.8830 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3594 -0.8586 0.8123 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7064 -1.0043 -0.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5347 1.2965 0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4805 1.1051 -1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1169 2.8517 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 1.6086 -1.1683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1064 3.0538 0.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4580 3.1166 1.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1918 1.0161 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 2.3586 2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -0.1345 2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3242 1.4182 3.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6684 -0.6563 5.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4671 -1.0318 2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7808 0.6683 3.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7784 -2.3886 3.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0932 -2.1688 5.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 -0.0116 3.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 0.1559 5.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9825 -1.8199 4.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3328 -1.4545 6.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0507 0.8314 6.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -0.1573 5.7180 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6934 1.5027 3.8767 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 1.8050 4.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1218 -0.3095 3.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4352 -0.5675 2.5663 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5509 0.5113 0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2116 1.8182 1.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7798 2.5769 2.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2419 1.2205 1.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3966 2.1001 -0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1054 3.4381 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1168 2.9228 0.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9380 4.3214 0.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 4.9969 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1519 5.0641 -1.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0558 2.9502 -2.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0824 4.2231 -3.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9977 3.3343 -2.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8090 1.9969 -1.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8148 1.2248 -3.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8360 2.3909 -4.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8941 0.0504 -3.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9075 1.2063 -3.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5933 -0.8805 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 0.5155 -6.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4685 -1.5229 -4.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5618 -0.2151 -5.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0663 -2.5125 -6.4247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2567 -1.1311 -7.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1040 -1.6968 -6.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9734 -3.0853 -5.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5464 -2.8112 -8.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3117 -4.2110 -7.3644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5541 -3.2491 -6.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6813 -4.5962 -6.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 -5.3355 -7.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4157 -5.7234 -8.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7352 -4.8090 -10.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8669 -3.2402 -9.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2267 -3.9446 -9.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9902 0.8418 5.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5565 1.6784 6.0249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0588 3.9755 7.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6766 6.0359 5.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1209 6.3606 5.6617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0477 8.1783 4.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6042 7.6541 2.1323 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 5.9357 2.4115 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1251 6.3125 1.4852 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 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 1 0 15 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 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 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 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 49 50 1 0 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 2 0 60 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 1 24 97 1 0 24 98 1 0 28 99 1 0 28100 1 0 29101 1 0 29102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 47138 1 0 48139 1 0 48140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 55148 1 0 57149 1 0 57150 1 0 58151 1 1 59152 1 0 59153 1 0 62154 1 0 M END