HMDB0046246 RDKit 3D TG(20:0/O-18:0/20:4(5Z,8Z,11Z,14Z)) 178177 0 0 0 0 0 0 0 0999 V2000 -0.6259 10.3822 -2.9037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9591 9.8466 -3.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7209 8.4301 -3.8727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 7.8557 -4.3741 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8211 6.4062 -4.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1494 5.9461 -5.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7575 4.9189 -4.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1684 4.1257 -3.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0357 2.7111 -4.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5860 1.7056 -3.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4209 1.8059 -2.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7701 1.2304 -2.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8958 1.8624 -2.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0558 3.3147 -2.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8046 3.3934 -0.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3616 4.0228 0.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0998 4.7187 0.3752 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0921 4.2796 1.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5552 4.2911 2.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3500 3.9439 3.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9260 4.8178 4.4407 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 2.7764 3.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4438 2.6292 4.3682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7559 1.3887 4.0617 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5469 1.1637 4.9805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4356 1.8764 4.7837 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0702 3.0997 4.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6759 4.0094 5.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4999 3.4304 4.4616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0616 2.1794 3.8762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 2.2730 3.3511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9006 0.9446 2.7574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9243 -0.1829 3.7401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3154 -1.4647 3.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4299 -2.6452 3.9547 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7766 -3.8380 3.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0190 -5.0652 3.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4689 -6.2812 3.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 -6.9263 2.0889 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5384 -6.1691 0.8378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6777 -6.9028 -0.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2855 -7.1740 0.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4858 -7.8717 -0.7765 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1027 -8.2119 -0.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6576 -6.9996 0.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 -7.3566 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8344 -8.0407 -0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3861 1.2241 2.7468 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4608 -0.0154 2.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 0.0043 0.6932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1608 -1.3492 0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7795 -1.9406 0.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2897 -0.9580 -0.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1439 -0.7488 -1.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.9500 -2.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -2.3137 -2.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7142 -1.2319 -2.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1794 -1.3567 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 -2.6087 -3.8149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1232 -2.5842 -4.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 -2.3652 -2.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0702 -3.3353 -1.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1811 -2.8858 -0.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3099 -3.7307 0.3228 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4562 -3.1485 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6647 -3.9182 2.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7451 11.4653 -2.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 10.3738 -3.7927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 9.8063 -2.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2194 10.4366 -4.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7497 9.9016 -2.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0568 8.5333 -4.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 7.7847 -3.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 8.4136 -5.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7954 7.8080 -3.5806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 5.8881 -4.0365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 6.4382 -5.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6815 6.4748 -6.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 4.6452 -5.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1542 4.4246 -3.3454 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 4.2273 -2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4395 2.5499 -4.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4038 0.7058 -3.9288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3962 2.7569 -1.7473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8914 1.0477 -1.5461 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8060 0.1596 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8282 1.2965 -2.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0756 3.7552 -2.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7088 3.8011 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7980 2.8861 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0016 4.0249 1.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2803 5.8417 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5411 4.8254 -0.6039 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7141 3.2335 1.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1953 4.9063 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9089 5.3043 3.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3280 3.4995 2.9887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7160 2.7074 5.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8236 3.4940 4.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3759 0.4687 4.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 1.4142 6.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3583 0.0493 5.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0895 3.8244 5.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 4.2027 3.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 1.3670 4.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4147 1.8086 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5642 3.0080 2.5259 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 2.5825 4.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2535 0.7380 1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9252 1.1506 2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7706 0.0507 4.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 -0.3080 4.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3200 -1.2762 2.5566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6185 -1.7255 2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 -2.8782 4.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2317 -2.4770 4.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5074 -3.5867 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7844 -4.0305 2.4836 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 -5.2878 4.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -4.7529 4.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5438 -6.0681 2.7697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 -7.0396 3.9823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1894 -7.9039 1.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6813 -7.2459 2.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2936 -5.1359 0.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5815 -6.2146 0.3426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5739 -6.2015 -1.0500 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1580 -7.8321 -0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2736 -7.7817 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7774 -6.2161 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4787 -7.3083 -1.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0211 -8.8362 -0.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4642 -8.6655 -1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -8.9605 0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7621 -6.2931 -0.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1698 -6.4617 0.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 -8.0565 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5614 -6.4112 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5458 -9.1106 -0.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9221 -7.9471 -0.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6795 -7.5268 -1.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5101 -0.4004 2.4265 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8034 -0.7699 2.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5647 0.6914 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3244 0.3983 0.2502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8701 -2.0294 0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3888 -1.4292 -0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7330 -2.0243 1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6783 -2.8994 -0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3113 -1.3603 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2192 -0.0057 0.4805 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 0.1340 -1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8898 -0.4074 -1.7212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1097 -2.8165 -1.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1629 -1.7889 -3.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -3.2437 -2.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 -2.4825 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3135 -1.1021 -4.0622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5201 -0.2071 -2.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7270 -1.3123 -2.1656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5301 -0.4325 -3.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -3.5270 -3.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1528 -2.6078 -4.8248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 -3.5207 -4.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2751 -1.7151 -4.8187 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 -1.3015 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1176 -2.4784 -3.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3687 -4.3244 -2.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1049 -3.3840 -1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 -2.8820 -1.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0211 -1.8370 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3993 -3.6384 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 -4.7935 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2963 -2.0787 1.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4233 -3.2250 0.5891 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 -3.3212 3.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7171 -4.2375 2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0638 -4.8659 2.3731 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 2 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 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 24 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 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 3 73 1 0 4 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 18 95 1 0 19 96 1 0 19 97 1 0 23 98 1 0 23 99 1 0 24100 1 1 25101 1 0 25102 1 0 29103 1 0 29104 1 0 30105 1 0 30106 1 0 31107 1 0 31108 1 0 32109 1 0 32110 1 0 33111 1 0 33112 1 0 34113 1 0 34114 1 0 35115 1 0 35116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 38121 1 0 38122 1 0 39123 1 0 39124 1 0 40125 1 0 40126 1 0 41127 1 0 41128 1 0 42129 1 0 42130 1 0 43131 1 0 43132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 46137 1 0 46138 1 0 47139 1 0 47140 1 0 47141 1 0 49142 1 0 49143 1 0 50144 1 0 50145 1 0 51146 1 0 51147 1 0 52148 1 0 52149 1 0 53150 1 0 53151 1 0 54152 1 0 54153 1 0 55154 1 0 55155 1 0 56156 1 0 56157 1 0 57158 1 0 57159 1 0 58160 1 0 58161 1 0 59162 1 0 59163 1 0 60164 1 0 60165 1 0 61166 1 0 61167 1 0 62168 1 0 62169 1 0 63170 1 0 63171 1 0 64172 1 0 64173 1 0 65174 1 0 65175 1 0 66176 1 0 66177 1 0 66178 1 0 M END