HMDB0049716 RDKit 3D TG(18:1(9Z)/14:0/20:4(8Z,11Z,14Z,17Z)) 157156 0 0 0 0 0 0 0 0999 V2000 -5.1380 -5.5571 -2.9013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5615 -6.9126 -3.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4309 -7.6169 -2.5092 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1680 -8.7810 -1.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9424 -9.5640 -2.2562 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1623 -9.8088 -1.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9323 -9.4251 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1544 -8.6729 -1.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -9.5162 -2.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2580 -9.1693 -2.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7358 -7.8493 -1.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 -7.2188 -2.5687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2461 -6.0720 -3.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0804 -5.2843 -2.7025 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5373 -3.9259 -2.2002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5823 -3.0224 -1.7545 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -3.5995 -0.6132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4359 -2.8205 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 -2.5165 -0.8685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3294 -1.7373 -2.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6773 -2.1397 -3.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6565 -0.4958 -2.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 0.1821 -3.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7348 1.4599 -3.0538 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4881 2.3953 -2.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 1.8274 -0.8169 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3073 2.5440 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7227 3.7015 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 2.0091 1.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9616 0.6152 1.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 0.1940 3.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6145 -1.2310 3.3422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7580 -1.7336 4.7379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2742 -3.1280 4.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 -3.3034 4.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0492 -2.4885 5.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8164 -1.5776 5.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2384 -1.1632 3.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7104 -1.4351 3.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4288 -1.1906 2.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5821 0.1306 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4191 0.8840 1.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8699 2.2230 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8029 2.0042 -0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1733 1.1436 -1.4063 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5057 2.2002 -4.2532 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2500 2.6773 -4.5548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6591 2.3998 -3.6940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1176 3.4669 -5.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4846 4.1189 -5.5613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 5.0411 -4.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4404 6.1342 -4.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2917 7.0258 -3.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4851 7.7845 -2.8810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 8.5789 -1.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 9.4164 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4900 10.1424 0.1629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 9.2104 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9405 8.3039 1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 8.9377 2.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9224 9.8937 2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3761 -5.0777 -3.5427 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0425 -4.9429 -2.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7066 -5.6806 -1.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6508 -7.4577 -3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0971 -6.7558 -4.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3697 -7.0760 -2.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9340 -9.1606 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3782 -10.6062 -2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3906 -9.2942 -3.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6678 -10.3595 -0.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4686 -9.6746 0.1635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -7.6684 -1.4047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8002 -8.4582 -2.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2383 -10.5200 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 -9.9249 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0725 -7.3182 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5076 -8.1576 -0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 -7.7920 -2.8949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8808 -5.6224 -3.9051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5293 -5.1087 -3.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 -5.7042 -1.9894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0746 -3.3964 -3.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3098 -4.0500 -1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2207 -2.8612 -2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 -2.0427 -1.5202 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7084 -4.6250 -0.8176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5670 -3.7652 0.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7927 -3.3753 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0440 -1.8373 0.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3871 -1.9053 -0.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1578 -3.4397 -1.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4239 0.3943 -3.7427 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8017 -0.4369 -3.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7596 1.3068 -2.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4297 2.7426 -2.5338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8402 3.2865 -1.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5933 2.0122 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 2.6597 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -0.0984 1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8919 0.5042 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2423 0.1574 3.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6047 0.8660 3.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -1.8696 2.6536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -1.1957 2.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8424 -1.6539 5.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1789 -1.0557 5.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8644 -3.8117 4.1951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4179 -3.5125 5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5781 -3.1216 3.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5164 -4.3964 4.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2360 -2.6682 6.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3416 -1.0012 6.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6740 -1.7178 3.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0963 -0.0483 3.8414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -0.9070 4.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -2.5317 4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -1.9442 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4901 -1.6251 2.7547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2831 0.0184 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1392 0.8160 2.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 0.3051 0.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6272 1.1283 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9291 2.6612 0.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2816 2.9027 1.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 1.5799 -0.0420 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0335 2.9881 -0.8044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 1.4637 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7291 1.3260 -2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2323 0.0634 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6566 4.1919 -6.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2391 2.7423 -6.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 4.7093 -6.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 3.3465 -5.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4587 5.5665 -4.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 4.5196 -3.3922 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 5.7524 -4.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7303 6.7491 -5.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 6.5290 -2.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4840 7.8029 -3.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 7.1375 -2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8542 8.5136 -3.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2032 9.2502 -2.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 7.8561 -0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9948 8.8573 -0.8237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3296 10.2106 -1.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5747 10.6581 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1330 10.9551 0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0686 8.6905 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5494 9.8688 2.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3376 7.6535 2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 7.5638 1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5236 9.3641 3.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6224 8.0891 3.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9490 9.8047 2.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6155 10.9308 2.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 9.7364 0.9987 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 2 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 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 2 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 24 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 59152 1 0 60153 1 0 60154 1 0 61155 1 0 61156 1 0 61157 1 0 M END