HMDB0043643 RDKit 3D TG(15:0/18:3(9Z,12Z,15Z)/20:2n6) 160159 0 0 0 0 0 0 0 0999 V2000 1.3035 -9.2190 -2.2424 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5269 -7.9417 -2.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4395 -6.8266 -2.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -5.7447 -2.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4853 -5.5362 -0.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2312 -5.3004 0.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1329 -4.2245 0.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2345 -3.1105 0.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0937 -1.9405 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9951 -0.8158 0.9366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0132 -0.5313 1.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8436 0.6404 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4581 0.0830 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 1.0600 -0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 2.2083 -1.2272 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2108 3.0542 -2.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 4.2145 -2.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5284 3.8542 -3.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0211 2.7202 -3.5126 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0362 4.5782 -4.7571 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0256 4.0700 -5.5820 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1771 5.0488 -5.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6820 5.1857 -4.2414 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 4.1083 -3.6129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3913 3.0258 -4.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8194 4.1250 -2.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5817 2.8496 -1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 2.7352 -0.5848 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0758 2.7163 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6434 2.6000 1.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5078 3.7791 2.2017 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8387 5.0949 2.2590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9966 5.5678 3.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8943 4.8313 3.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4189 3.8008 4.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 3.7981 6.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2819 4.7707 6.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 3.9806 7.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0870 4.2155 7.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5081 5.2658 6.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2348 4.6348 5.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 3.8675 5.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1639 3.2552 4.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 2.4860 4.7236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4768 3.8855 -6.9706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6301 3.0331 -6.8764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 1.7516 -6.4357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4938 1.2227 -6.1000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8539 0.9265 -6.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 -0.1897 -5.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8076 -0.9559 -5.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 -2.0735 -4.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0415 -2.6700 -3.9879 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 -3.7773 -2.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6195 -4.1843 -3.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1647 -5.2192 -2.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1797 -5.0643 -0.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9438 -5.0435 0.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1593 -6.3433 0.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9478 -6.1978 0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1808 -7.5185 0.9274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9709 -7.4097 1.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2784 -9.1338 -2.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8020 -10.1194 -2.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3612 -9.3776 -1.1676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1293 -8.2006 -3.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3698 -7.7942 -2.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1675 -6.9540 -3.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1283 -4.9377 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2230 -4.7693 -1.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1458 -6.4366 -0.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9013 -6.1115 0.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7351 -4.1319 1.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 -2.9813 1.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4294 -3.3212 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8878 -2.0646 -0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6747 0.0464 0.7219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7388 -1.2722 2.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 -0.0432 2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6243 0.9278 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.4829 1.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 -0.4943 -0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1890 -0.7104 0.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6751 0.5147 -1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0813 1.4419 -0.1290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1163 2.7883 -0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4049 1.8568 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0425 3.4829 -1.4350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7691 2.4522 -2.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 5.0134 -2.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4245 4.6718 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3234 3.1122 -5.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8898 6.0325 -5.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9843 4.6241 -6.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9418 4.1718 -1.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4885 4.9847 -2.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3968 2.8007 -2.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8758 2.0039 -2.1721 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8749 3.5545 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 1.7915 -0.5311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4500 3.6208 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4233 1.8409 0.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7860 2.5128 2.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2580 1.6811 1.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4426 3.7954 1.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9246 3.5745 3.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 5.2846 1.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7032 5.8777 2.1688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6937 6.0049 4.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5041 6.5734 2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 4.3160 3.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1691 5.4659 4.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 2.9850 4.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6010 2.9587 6.7711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0308 5.6054 6.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8833 5.1493 7.8426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3954 3.1602 8.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9137 3.6105 7.6390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3293 5.8489 6.8203 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2020 6.0186 5.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5467 5.4037 4.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 3.9249 4.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1800 2.9943 6.1684 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1756 4.4555 6.1220 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4030 2.6315 3.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3942 4.0905 3.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2871 1.4167 4.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5969 2.5256 5.8092 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2482 2.9229 4.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2965 3.4315 -7.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2147 4.8762 -7.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0412 0.5374 -7.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7044 1.5395 -6.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 0.2869 -4.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7644 -0.8209 -5.7727 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5770 -0.2510 -4.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2047 -1.3690 -6.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9793 -2.8251 -4.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3172 -1.5993 -3.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 -1.9266 -3.7899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2570 -3.1822 -4.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5093 -4.6245 -3.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8864 -3.2772 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7755 -4.4647 -4.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2474 -3.2280 -2.9557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7638 -6.2356 -2.4496 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2699 -5.3390 -2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6917 -4.0586 -0.4632 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9321 -5.7856 -0.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3387 -4.1544 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2951 -5.0325 1.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8162 -6.5589 -0.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7369 -7.1915 0.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 -5.4381 0.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2204 -5.8767 1.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9905 -7.7772 -0.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8848 -8.2718 1.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0852 -7.7486 1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7681 -6.3594 2.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0698 -8.0700 2.6858 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 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 2 0 24 26 1 0 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 21 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 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 21 92 1 1 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 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 36114 1 0 37115 1 0 37116 1 0 38117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 44129 1 0 45130 1 0 45131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 59152 1 0 59153 1 0 60154 1 0 60155 1 0 61156 1 0 61157 1 0 62158 1 0 62159 1 0 62160 1 0 M END