HMDB0052500 RDKit 3D TG(18:2(9Z,12Z)/24:0/O-18:0) 188187 0 0 0 0 0 0 0 0999 V2000 -2.5246 9.3302 5.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5547 8.2247 5.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0159 6.8877 5.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0314 5.8439 5.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3725 4.4388 5.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6435 3.9524 5.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8302 2.9261 4.5375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 2.1437 4.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 2.2462 2.6025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6452 1.2136 1.8117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6346 -0.1693 2.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8310 -0.9365 1.7832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0294 -0.9541 0.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1702 -1.9456 0.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5985 -2.1182 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5987 -3.1986 -1.5904 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2417 -4.6083 -1.4445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7947 -5.1895 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0381 -4.8071 0.9800 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9598 -6.3398 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3814 -6.9617 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0940 -6.3730 1.2643 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0291 -4.8938 1.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7493 -4.4346 0.9452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1119 -4.6989 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3133 -4.2008 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 -4.3616 -1.4626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4875 -3.8406 -1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 -3.8540 -2.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8888 -2.9413 -3.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8175 -2.8897 -4.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 -2.3874 -4.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0480 -2.2485 -5.2835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 -1.2531 -6.3057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7620 0.1777 -6.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0171 0.8511 -4.9478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.8047 -4.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9331 1.3809 -6.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2422 2.8140 -6.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7275 3.7220 -5.3787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0753 5.1713 -5.7027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5585 6.0721 -4.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 -6.7779 2.4440 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2964 -7.3248 2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3808 -7.5246 1.5211 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4190 -7.7345 3.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8295 -7.0543 3.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5842 -5.5884 3.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8088 -4.7844 3.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 -3.3297 3.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 -2.4548 2.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8851 -1.0881 2.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8447 -0.1517 1.6744 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1131 1.1751 1.4072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9956 2.1064 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3777 3.4228 0.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0624 3.3944 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6167 4.8037 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2875 4.9431 -1.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 4.4588 -0.4431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2084 4.6420 -1.0664 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2383 4.2045 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6609 4.3530 -0.5102 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6216 3.9241 0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0585 4.0686 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4278 3.2218 -1.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2147 1.7494 -0.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5825 0.8956 -1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 9.2327 4.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0224 10.2884 5.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7928 9.2855 6.6434 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 8.1356 4.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5528 8.5156 5.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0408 6.7050 5.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0435 7.0285 6.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0604 6.0891 5.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7860 5.8654 4.2663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4908 3.8276 5.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5268 4.5900 6.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5583 4.5029 5.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8310 2.6006 4.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6895 2.4372 4.5351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8196 1.1030 4.4609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6354 3.2368 2.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6592 1.3603 0.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5205 -0.3483 3.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6896 -0.6284 1.7978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8420 -1.9653 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7249 -0.3495 2.1625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0673 -1.3315 -0.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2127 0.0393 -0.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7956 -2.8842 0.4011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0394 -1.5523 0.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0380 -1.1904 -1.8358 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6615 -2.3869 -1.9732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9976 -3.0282 -2.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5078 -2.9176 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2085 -5.1999 -1.6846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5873 -4.9737 -2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1115 -6.8985 1.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -8.0732 0.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3369 -6.7577 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6325 -4.3220 1.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 -4.7497 0.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -4.1839 -1.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -5.7519 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9055 -4.7117 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -3.1203 0.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6235 -3.7853 -2.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1557 -5.4388 -1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -2.7631 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8915 -4.3772 -0.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 -3.4614 -1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 -4.9027 -2.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8478 -3.1907 -3.7155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7998 -1.9239 -2.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4079 -2.3349 -5.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9429 -3.9447 -4.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1239 -1.5414 -3.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6034 -3.2587 -3.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1227 -3.2833 -5.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1223 -2.0645 -4.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6883 -1.5565 -6.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3801 -1.4174 -7.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6704 0.7983 -6.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8765 0.3881 -5.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3841 0.6065 -3.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2607 1.9791 -5.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0600 -0.1471 -4.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 1.4796 -4.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8259 1.2116 -6.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2426 0.8077 -7.1325 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 2.9301 -6.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6908 3.1058 -7.4109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1080 3.4870 -4.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6095 3.6842 -5.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6152 5.4181 -6.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1992 5.2556 -5.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5435 7.1185 -4.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1959 6.0354 -3.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 5.8065 -4.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5736 -8.7865 3.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0503 -7.3488 4.7367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3327 -7.5527 2.9197 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.2675 4.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8284 -5.3496 2.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0860 -5.2672 4.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4698 -4.8035 4.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3702 -5.1297 2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4977 -3.2203 2.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -2.9457 4.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2010 -2.2932 3.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0999 -2.8371 1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0011 -1.2161 1.6654 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5417 -0.6691 3.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6515 0.0977 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -0.5291 0.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 0.9130 0.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 1.5776 2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3364 1.6241 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 2.2454 1.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0695 4.0531 -0.2878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 4.0499 1.2629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2572 2.8746 0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 2.8838 -1.3711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4367 5.2288 -1.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6493 5.4536 0.2192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2342 4.4777 -2.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1076 6.0328 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8351 5.0225 0.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6939 3.3850 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 5.7306 -1.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3235 4.1457 -2.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1318 4.7674 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0914 3.1344 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9237 5.4136 -0.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8685 3.7600 -1.4022 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4800 4.5247 1.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4709 2.8605 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3149 5.1198 -0.1033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7365 3.7222 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8159 3.5062 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4721 3.4281 -1.2682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1612 1.5395 -0.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8177 1.4075 0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8548 0.9769 -2.7678 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6067 1.1617 -2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6530 -0.1870 -1.6266 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 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 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 22 43 1 0 43 44 1 0 44 45 2 0 44 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 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 7 81 1 0 8 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 0 11 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 14 92 1 0 14 93 1 0 15 94 1 0 15 95 1 0 16 96 1 0 16 97 1 0 17 98 1 0 17 99 1 0 21100 1 0 21101 1 0 22102 1 6 23103 1 0 23104 1 0 25105 1 0 25106 1 0 26107 1 0 26108 1 0 27109 1 0 27110 1 0 28111 1 0 28112 1 0 29113 1 0 29114 1 0 30115 1 0 30116 1 0 31117 1 0 31118 1 0 32119 1 0 32120 1 0 33121 1 0 33122 1 0 34123 1 0 34124 1 0 35125 1 0 35126 1 0 36127 1 0 36128 1 0 37129 1 0 37130 1 0 38131 1 0 38132 1 0 39133 1 0 39134 1 0 40135 1 0 40136 1 0 41137 1 0 41138 1 0 42139 1 0 42140 1 0 42141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 50150 1 0 50151 1 0 51152 1 0 51153 1 0 52154 1 0 52155 1 0 53156 1 0 53157 1 0 54158 1 0 54159 1 0 55160 1 0 55161 1 0 56162 1 0 56163 1 0 57164 1 0 57165 1 0 58166 1 0 58167 1 0 59168 1 0 59169 1 0 60170 1 0 60171 1 0 61172 1 0 61173 1 0 62174 1 0 62175 1 0 63176 1 0 63177 1 0 64178 1 0 64179 1 0 65180 1 0 65181 1 0 66182 1 0 66183 1 0 67184 1 0 67185 1 0 68186 1 0 68187 1 0 68188 1 0 M END