HMDB0261873 RDKit 3D PE(18:1(12Z)-2OH(9,10)/20:0) 139138 0 0 0 0 0 0 0 0999 V2000 -4.2679 -1.6265 9.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3096 -0.6729 8.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3692 -1.3759 8.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0757 -2.1234 6.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 -1.1830 6.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5750 -1.9131 4.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3700 -1.6520 3.7130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4635 -0.6138 3.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 -1.2659 2.4221 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9514 -1.8830 1.3109 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2952 -0.3029 2.0108 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3507 -1.1009 1.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5611 0.2548 3.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1150 -0.8267 4.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.2610 5.2681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4027 -1.3937 6.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5017 -2.1095 5.3469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 -1.4589 5.1403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9891 -0.2696 4.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6732 -0.4040 2.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7340 0.6632 2.1545 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3336 -1.5642 2.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0903 -1.6327 0.8577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2487 -1.3558 -0.0340 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3539 -2.4127 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2895 -2.2179 -0.7925 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5935 -3.2586 -0.7572 P 0 0 0 0 0 5 0 0 0 0 0 0 8.7962 -2.6735 -0.0284 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2197 -4.7479 -0.0465 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0201 -3.5772 -2.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2278 -4.6151 -2.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5943 -4.8911 -4.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0111 -5.2762 -4.3989 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 -0.1072 0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1059 0.7176 -1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 0.2551 -2.1702 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7275 2.0077 -0.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8864 3.1669 -0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 3.6949 -1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7129 2.8539 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8991 3.6852 -2.6987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6854 3.0118 -3.2152 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3439 2.6223 -2.2100 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 1.9567 -2.9969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6017 1.5112 -2.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6636 0.8670 -2.9743 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8496 0.3744 -2.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5998 1.4322 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1332 2.5295 -2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0994 1.9846 -3.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5922 3.1217 -4.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5397 2.8647 -5.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1923 2.0889 -6.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7396 0.6788 -6.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5533 0.1196 -7.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8255 -2.6252 9.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5841 -1.2666 10.6206 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1871 -1.6428 8.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8539 0.1654 8.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6983 -0.2109 9.7363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6196 -0.6635 7.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8219 -2.1378 8.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 -2.9228 7.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3169 -2.6213 6.2630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2984 -0.3318 5.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 -0.7943 6.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2743 -2.7150 5.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9023 -2.2348 2.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0548 0.0081 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0934 0.1187 3.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8929 -2.0920 2.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0229 -2.8652 1.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6606 0.5371 1.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -0.7683 0.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1968 0.8332 3.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1730 0.9879 2.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -1.3350 3.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5980 -1.5755 4.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 0.1164 5.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 0.6249 5.1161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5386 -2.1324 6.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6600 -1.0993 7.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1920 -2.5130 4.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6705 -3.0923 5.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5069 -2.2626 4.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2620 -1.3385 6.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1288 0.0059 4.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 0.6239 4.7510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2178 -0.9804 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7341 -2.6732 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9503 -1.5482 -1.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8544 -3.3831 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8163 -2.2565 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2463 -4.9357 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1825 -4.2463 -2.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 -5.5267 -2.2544 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9484 -5.7036 -4.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4587 -3.9279 -4.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2562 -5.4378 -5.4069 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5576 -4.4304 -4.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3358 2.2998 -1.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5655 1.8512 -0.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6344 4.0265 -0.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4714 3.0528 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4615 4.0226 -2.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 4.7174 -0.9597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 1.8528 -2.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0344 2.7924 -0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 4.6695 -2.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5750 3.8663 -3.5697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 2.1121 -3.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1908 3.7320 -3.9277 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7137 3.4414 -1.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 1.8018 -1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8763 2.7332 -3.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1208 1.1171 -3.5887 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9848 2.2845 -1.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1921 0.6913 -1.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9478 1.5460 -3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2017 -0.0209 -3.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4706 -0.3972 -1.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4925 -0.1995 -2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9675 1.8021 -0.6405 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4694 0.9269 -0.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3916 3.1318 -2.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7408 3.2009 -1.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7191 1.1092 -3.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0132 1.6317 -2.8054 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6684 3.6388 -4.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9905 3.9510 -3.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4378 2.3291 -4.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9632 3.8929 -5.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0351 2.1443 -7.2926 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3520 2.6328 -7.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7094 0.6022 -5.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4929 0.0722 -5.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1371 -0.8988 -7.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5751 0.0296 -8.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9101 0.8153 -8.3953 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 1 0 9 11 1 0 11 12 1 0 11 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 1 10 72 1 0 11 73 1 6 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 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 23 89 1 0 23 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M END