HMDB0045690 RDKit 3D TG(20:0/16:1(9Z)/18:1(11Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -3.0630 4.8249 -0.7026 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4334 4.6997 -2.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5619 5.5721 -3.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 7.0071 -2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8555 7.9354 -3.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3821 7.8654 -3.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2314 6.5999 -3.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 5.8510 -3.1281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4130 6.1834 -1.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7987 6.4529 -1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8689 5.4496 -1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2156 5.1589 -2.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2588 4.0868 -3.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7967 2.7549 -2.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8653 1.7651 -2.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7015 0.3686 -2.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4682 -0.3393 -2.8835 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2512 0.2038 -2.2891 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3186 0.6928 -1.1049 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9883 0.2640 -2.8567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8928 0.8297 -2.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 0.0198 -0.9121 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1358 -1.2676 -1.3825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -1.9879 -2.2135 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3501 -3.2176 -2.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8350 -3.5774 -2.3774 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1778 -4.0501 -3.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 -4.6427 -2.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0347 -5.5934 -3.7372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2502 -6.2566 -3.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8725 -6.8769 -1.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0505 -7.6299 -1.2123 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7634 -8.1416 0.1723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -8.9689 0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4091 -9.3844 1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 -10.1106 2.0838 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9037 -9.2246 1.8308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0098 -7.9748 2.6273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -6.9595 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4085 -7.1825 2.9852 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2741 -8.1970 2.3240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6490 -8.1048 3.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6358 -9.0699 2.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9749 -8.9685 3.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5045 -7.5583 3.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 0.6131 -0.0833 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2723 0.6514 1.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 0.1750 1.7168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3187 1.2227 2.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9007 1.1518 3.6256 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3290 1.9583 3.9435 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 3.4345 3.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3994 4.1565 4.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 5.6416 3.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8727 6.0383 2.4253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7855 7.5068 2.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 8.0828 1.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6470 7.4788 1.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7026 8.0147 2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0117 7.3411 2.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0696 7.8748 3.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3781 7.2225 2.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4909 7.6990 3.8480 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1426 5.4251 -0.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8969 5.2148 -0.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8292 3.8125 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5110 4.9106 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2846 3.6458 -2.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 5.4482 -4.0709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 5.1290 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7440 7.3233 -2.8185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 7.1361 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1637 9.0082 -3.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 7.7854 -4.6155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0407 8.6047 -4.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 8.3318 -2.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0107 6.2302 -4.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 4.9107 -3.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7943 7.0605 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 5.3552 -1.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1207 7.4519 -1.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7409 6.7961 -0.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7805 5.8550 -1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5927 4.5547 -0.9502 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4116 5.0213 -3.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 6.1042 -3.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2317 4.3178 -2.6993 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4123 3.9075 -4.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 2.4306 -3.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7449 2.9027 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 1.7659 -4.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8759 2.1293 -2.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6125 -0.1932 -2.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7538 0.3735 -1.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5791 -1.4058 -2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 -0.4373 -3.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1500 1.8693 -1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 0.8723 -2.7630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -0.2836 -0.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 -0.9313 -1.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4349 -1.8781 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5502 -3.4813 -4.4654 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5811 -4.9345 -3.9026 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0244 -3.8505 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9489 -5.1843 -1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3610 -5.0138 -4.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3082 -6.3626 -4.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0368 -5.4919 -2.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6311 -7.0020 -3.8251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9612 -7.5017 -1.8575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6367 -6.0628 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8959 -6.9103 -1.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -8.4665 -1.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6104 -8.8090 0.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7865 -7.3130 0.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -8.4491 -0.0808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6487 -9.8572 -0.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6532 -8.5890 2.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2490 -10.1458 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -11.0567 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1586 -10.3075 3.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 -9.8725 2.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7896 -9.0026 0.7674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0410 -7.5134 2.4529 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1024 -8.2878 3.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 -5.9957 3.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0553 -6.6181 1.4238 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3670 -7.4011 4.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9756 -6.1729 3.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4273 -7.8849 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 -9.2217 2.3601 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5252 -8.2726 4.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0219 -7.0785 2.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8583 -8.7961 1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2782 -10.1146 2.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8952 -9.2628 4.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6940 -9.6254 2.6406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6113 -7.5467 3.0882 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0491 -6.9798 3.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1730 -7.1211 2.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6157 2.2136 1.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 0.5626 2.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 1.4134 4.3068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6483 0.0817 3.8214 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 1.8617 5.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2397 1.6505 3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 3.8624 4.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0157 3.5218 2.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 3.7270 3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6496 3.9641 5.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3019 6.0672 3.9962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6228 6.0885 4.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6613 5.6866 1.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0991 5.5830 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6726 8.1435 2.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 9.1901 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7446 6.4086 1.7095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 7.8011 0.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3777 7.6688 3.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7594 9.1051 2.5868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 7.5370 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9451 6.2518 2.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7979 7.5394 4.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1209 8.9593 3.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3032 6.1250 3.0721 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6759 7.4472 1.8783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7081 8.7806 3.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3944 7.0899 3.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2828 7.4365 4.9022 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 1 0 7 8 2 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 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 2 0 25 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 42 43 1 0 43 44 1 0 44 45 1 0 22 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 2 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 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 5 74 1 0 6 75 1 0 6 76 1 0 7 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 14 89 1 0 14 90 1 0 15 91 1 0 15 92 1 0 16 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 21 97 1 0 21 98 1 0 22 99 1 1 23100 1 0 23101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 37123 1 0 38124 1 0 38125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 41130 1 0 41131 1 0 42132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 45140 1 0 49141 1 0 49142 1 0 50143 1 0 50144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 63169 1 0 M END