HMDB0043954 RDKit 3D TG(16:0/20:0/18:2(9Z,12Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -6.4964 -0.9656 -5.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2469 -0.3428 -4.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1660 0.7032 -4.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9089 1.3363 -3.1183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4724 0.2728 -2.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2293 0.9400 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 0.9127 -0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8492 0.2540 -0.6523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6960 1.2005 -0.7808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3742 1.0351 -0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5156 -0.0387 0.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7073 -0.9798 0.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -2.0296 1.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6821 -3.0700 1.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5619 -4.0986 2.7656 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6832 -3.5726 4.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5322 -4.6718 5.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2386 -5.3593 5.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2242 -6.5424 5.6466 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0399 -4.8661 4.7619 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2209 -5.4886 4.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2399 -4.5208 4.2259 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8342 -3.9699 2.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7564 -4.7218 1.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0990 -5.8104 1.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3147 -6.3945 2.0918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2768 -6.3516 -0.0574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5066 -5.4528 -0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6602 -5.9373 -2.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0859 -4.9494 -3.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0323 -5.3481 -4.7682 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -4.3847 -5.6720 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1154 -3.0350 -5.8654 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0839 -2.0857 -4.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -0.7077 -5.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3951 -0.0101 -6.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7285 0.2270 -5.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 0.9671 -6.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9845 1.1820 -5.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9763 1.9312 -6.4971 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2401 2.0755 -5.6625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2708 -3.3639 5.1351 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 -2.9000 5.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5068 -3.5150 5.2758 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 -1.7762 6.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -0.4237 6.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5833 0.0852 5.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8678 1.4910 4.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8037 2.1453 3.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4912 2.2681 4.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5523 3.0495 3.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 3.0736 4.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9327 3.8608 4.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3982 3.4359 2.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5812 4.2752 2.2889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9958 3.8266 0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1532 4.5184 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 5.9544 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2751 6.6757 -0.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8798 6.6465 -0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9401 7.4245 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9454 6.8467 -2.5306 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5023 5.3986 -2.5809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3478 -0.2147 -6.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5268 -1.3586 -5.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8280 -1.8432 -5.9105 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1821 0.0989 -4.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9937 -1.1715 -3.6958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2296 0.3455 -4.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5619 1.5042 -5.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1530 2.1177 -3.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8578 1.7855 -2.7930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -0.3460 -1.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6792 -0.3467 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 1.4786 -0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0193 1.4569 0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6174 -0.6835 -0.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0207 -0.0518 -1.7443 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 2.0131 -1.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1802 1.7690 -0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8699 0.4665 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3632 -0.5854 1.2248 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5659 -1.4120 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6087 -0.3712 0.7373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6586 -1.5006 2.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6226 -2.5075 1.6455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7077 -2.6690 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -3.6315 0.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4476 -4.7840 2.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6853 -4.7334 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9284 -2.7962 4.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7168 -3.1455 4.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3314 -5.4674 5.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -4.2813 6.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2954 -6.5103 4.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4779 -5.5267 5.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2424 -4.8906 4.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 -3.3368 3.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6184 -3.1480 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -7.3507 -0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -6.4080 -0.2676 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7489 -4.3844 -0.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5977 -5.5299 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -5.8712 -2.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2322 -6.9192 -2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2052 -3.9488 -3.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1907 -5.0068 -3.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4331 -6.3847 -4.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -5.5488 -5.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 -4.3641 -5.4852 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6074 -4.8842 -6.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8401 -3.0810 -6.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8208 -2.5228 -6.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -2.4353 -4.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6700 -1.9537 -4.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 -0.1173 -4.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5316 -0.8177 -5.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5231 -0.4786 -7.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0322 1.0145 -6.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1498 -0.7554 -5.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 0.8063 -4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7618 0.5298 -7.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 2.0066 -6.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4189 0.1550 -5.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8626 1.6151 -4.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1534 1.4028 -7.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 2.9618 -6.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0623 2.5237 -6.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9403 2.6933 -4.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4769 1.0578 -5.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7918 -1.7475 7.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5291 -1.9818 7.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8448 0.2913 6.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6955 -0.3495 5.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6285 0.0100 5.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5770 -0.5621 4.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0082 2.1079 5.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 1.5025 4.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6187 1.6364 2.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1529 3.1707 3.6120 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6212 2.8350 5.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 1.2711 4.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 4.1170 3.6972 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6393 2.6570 2.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5169 3.5273 5.6228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 1.9990 4.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8242 3.7331 4.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 4.9457 4.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5923 3.4787 2.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 2.3692 2.8262 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4064 5.3410 2.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4065 4.0249 3.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1590 3.6270 0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3917 2.7286 1.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 4.1435 0.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3048 4.0347 -0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3144 6.1688 -0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2482 6.5362 1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6537 7.7370 -0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 6.2143 -1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 5.6711 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8380 7.1785 0.7613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 7.3375 -0.7344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2680 8.4689 -1.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1942 7.4059 -3.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 6.9778 -3.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 5.3135 -2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9884 4.7666 -1.8367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7312 5.0346 -3.6089 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 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 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 1 0 22 42 1 0 42 43 1 0 43 44 2 0 43 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 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END