HMDB0048149 RDKit 3D TG(14:1(9Z)/20:3n6/20:3n6) 159158 0 0 0 0 0 0 0 0999 V2000 -0.8271 5.0855 -4.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1199 5.7756 -5.1292 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0762 7.2576 -4.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8385 7.4768 -3.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7871 8.9149 -3.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7237 9.4712 -2.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5195 8.7884 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 9.0030 -0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9818 8.3984 -0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1090 6.9060 -0.2503 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0487 6.1653 0.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2364 4.6611 0.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5500 4.2385 0.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8267 2.8174 1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0472 2.5332 1.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9733 1.7390 0.9437 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 0.4746 1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6941 -0.7125 1.2487 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9031 -0.9739 2.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.3016 2.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5451 1.0038 2.8725 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4664 1.7585 3.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8415 1.6643 2.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 1.5822 1.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5381 2.0402 0.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5114 1.3629 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4895 1.9813 -1.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5853 1.2983 -2.7569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8306 1.2988 -2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 1.7427 -3.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 2.3017 -4.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9959 1.4652 -5.7399 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 1.9451 -6.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1810 3.3315 -6.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6031 3.5185 -7.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3604 4.2757 -6.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9113 5.1181 -5.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7103 4.7868 -3.9757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 3.3818 -3.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4768 3.1524 -2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0582 4.0815 -1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8393 -1.1386 0.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0650 -2.2542 -0.5895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 -2.8317 -0.4010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0965 -2.6996 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4286 -3.3659 -2.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2092 -4.5833 -2.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8123 -5.7973 -2.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -5.8060 -0.6584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -7.1723 -0.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9496 -7.2321 1.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1387 -7.4192 2.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3038 -7.6075 2.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6462 -8.9300 2.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4016 -9.0114 3.8174 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0171 -7.9033 4.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4722 -8.0106 4.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0272 -8.0382 5.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2746 -7.9659 7.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5653 -9.2057 8.0223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 -9.1096 9.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 -10.2758 10.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1575 -10.1486 11.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0170 5.7684 -4.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 4.5270 -5.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9936 4.2984 -3.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3436 5.5739 -6.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9352 5.2773 -4.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0491 7.6791 -5.0876 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 7.7392 -5.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9686 6.8848 -3.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7800 7.0970 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6477 9.5265 -3.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7296 10.5654 -2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6000 7.7323 -2.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3627 9.2885 -2.6774 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 8.4915 -0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6133 10.0739 -0.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8267 8.8335 -0.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 8.7372 0.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 6.5785 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 6.6646 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9561 6.5073 1.5480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0570 6.4204 0.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4424 4.1996 1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1044 4.3213 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3243 4.6464 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8157 4.7830 1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 0.5849 2.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 0.2692 0.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5158 -1.5794 1.3273 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6733 -2.0832 2.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5563 -0.7991 3.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3463 1.2288 3.8586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 2.7599 3.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7219 2.1907 2.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3076 0.5333 1.7967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5297 2.0144 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3389 3.1596 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7025 0.2993 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 1.4615 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 2.0879 -2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0868 3.0201 -1.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8805 0.2042 -2.8852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8230 1.7435 -3.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1477 0.8960 -1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7823 1.6665 -2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0085 3.2662 -4.6716 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3670 2.4724 -4.7516 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 0.4008 -5.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1145 1.1679 -7.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6092 4.0172 -6.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7785 3.5681 -7.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 2.8960 -7.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 4.2922 -6.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 6.1920 -5.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8499 5.0435 -4.9359 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5076 5.5029 -3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7882 5.0239 -4.2401 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9772 2.6789 -4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6064 3.0711 -3.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 2.1150 -1.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5559 3.3431 -2.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0960 4.5730 -1.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9426 3.4750 -0.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 4.8118 -0.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 -1.8094 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7070 -3.3310 -1.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6044 -3.6427 -3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7622 -2.6103 -3.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3129 -4.3960 -2.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2520 -4.9088 -3.9910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 -6.7382 -2.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2920 -6.0498 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1100 -5.6696 -0.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -5.0014 -0.1480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -7.3679 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2487 -7.9107 -0.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0591 -7.1056 1.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5247 -7.4451 3.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6342 -7.7041 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8089 -6.8070 2.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2555 -9.8213 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 -10.0353 4.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -6.9457 4.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 -7.7125 5.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1052 -8.0689 3.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1313 -8.1221 5.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7092 -7.1069 7.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1963 -7.9030 7.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 -10.1364 7.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6270 -9.2915 8.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0525 -8.1836 9.8210 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6547 -9.1325 9.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 -11.2364 9.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0562 -10.3411 10.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0687 -9.1040 11.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6736 -10.7196 12.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1448 -10.6175 11.3414 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 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 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 18 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 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 2 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 6 74 1 0 7 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 9 80 1 0 10 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 12 86 1 0 13 87 1 0 13 88 1 0 17 89 1 0 17 90 1 0 18 91 1 1 19 92 1 0 19 93 1 0 23 94 1 0 23 95 1 0 24 96 1 0 24 97 1 0 25 98 1 0 25 99 1 0 26100 1 0 26101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 41126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 48133 1 0 48134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 55144 1 0 56145 1 0 56146 1 0 57147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 63159 1 0 M END