HMDB0049592 RDKit 3D TG(18:1(11Z)/18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)) 161160 0 0 0 0 0 0 0 0999 V2000 2.7441 3.2772 8.8566 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 3.2708 7.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5724 1.8927 6.8687 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 1.1863 6.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7639 1.4473 5.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4308 2.6902 5.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8416 3.5610 5.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7264 3.4840 3.6506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8897 4.6165 3.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 4.5468 2.5480 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 3.2291 2.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1253 3.4073 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0473 3.2877 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7233 2.9455 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 1.6522 -0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 1.8417 -1.7411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 2.8316 -1.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3952 3.1494 -3.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7336 1.9440 -4.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8213 1.1044 -3.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4263 1.4655 -2.5740 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1543 -0.0869 -4.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1286 -1.0081 -3.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7617 -1.4984 -2.3697 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3122 -1.8592 -2.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 -3.0150 -3.0860 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6938 -3.4244 -3.1398 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1432 -2.6974 -2.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1331 -4.5722 -3.8363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2205 -4.3757 -5.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2109 -3.2199 -5.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 -3.0475 -6.8153 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5847 -1.9004 -7.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9034 -0.5747 -6.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8354 0.5832 -7.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0686 1.8715 -6.8112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9546 3.0770 -7.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1801 4.3021 -6.9103 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3923 5.2564 -6.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4638 5.2115 -5.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 5.3472 -3.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1609 6.6673 -3.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6178 6.7781 -2.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9015 8.1008 -1.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3485 8.2613 -0.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5430 -2.5459 -1.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2799 -2.5438 -0.7173 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2562 -1.4894 -0.0273 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0802 -3.7333 -0.2609 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4534 -3.4873 1.1610 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2468 -4.5898 1.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3995 -5.8884 1.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1521 -6.9220 2.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6791 -7.5996 3.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3149 -7.3914 3.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5563 -8.6400 3.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4662 -8.7757 3.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8564 -7.7071 2.4163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -7.4588 2.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 -6.3514 3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8023 -5.1340 3.4918 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2458 -4.0262 2.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8354 -2.8899 3.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8663 -2.5582 4.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7425 -1.3237 4.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7639 4.3498 9.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8588 2.7340 9.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7071 2.8500 9.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6366 3.8145 6.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8300 3.8783 7.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5777 1.4097 7.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 0.1385 5.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 1.2607 4.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3997 0.5470 6.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6506 2.8959 7.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3385 4.4755 5.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4660 2.5236 3.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7646 3.7161 3.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2457 5.6230 3.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2597 5.4834 2.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9653 2.4453 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2702 3.0382 2.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 3.6548 0.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1115 3.4495 -1.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8267 2.6706 1.4921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0204 3.7523 0.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0222 0.8851 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6935 1.2754 0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 2.1419 -2.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1766 0.8160 -2.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6307 3.8152 -1.5190 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 2.6244 -1.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5742 3.7451 -3.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2808 3.8159 -3.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8799 1.2617 -4.3487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0873 2.2982 -5.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1591 -0.5539 -3.7524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 -1.8535 -4.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9026 -0.5830 -1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6479 -1.0125 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0426 -2.0608 -1.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7304 -4.9998 -3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9148 -5.3951 -3.7889 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6901 -5.3005 -5.6755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6461 -4.1706 -5.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7996 -2.3147 -4.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0793 -3.5223 -4.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1518 -3.9892 -7.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7139 -2.9422 -7.4436 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4975 -2.0241 -6.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8998 -1.9043 -8.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0679 -0.5050 -7.5183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 -0.5103 -5.7828 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2368 0.5179 -8.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 0.5622 -6.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2896 1.8970 -7.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6192 1.8794 -5.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2393 3.0044 -8.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9066 3.0186 -6.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3392 4.4128 -7.6266 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 6.1499 -6.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0564 4.2896 -5.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 6.1085 -5.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1710 4.5044 -3.4717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6751 5.3079 -2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 6.7170 -4.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8920 7.4912 -3.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 6.8219 -1.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0153 5.9088 -1.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 8.1739 -2.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 8.9066 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 7.7111 -0.3139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1126 7.9831 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 9.3394 -0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3612 -4.5960 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9317 -3.9359 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0143 -2.5121 1.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 -3.3071 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2434 -4.7354 1.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2717 -4.3657 2.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4307 -5.5946 2.0553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4347 -6.1093 0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -7.1427 2.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2747 -8.3896 3.8996 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8045 -6.4926 3.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -7.2476 5.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9896 -9.4895 4.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8999 -9.7452 3.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4300 -6.8361 2.2071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6846 -8.1733 1.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7275 -8.3004 2.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1066 -6.2992 3.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8054 -5.3412 3.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8559 -4.9175 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2066 -4.2407 1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 -2.1493 2.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1774 -2.1850 4.8709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0775 -3.3368 5.2982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 -1.6142 4.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 -0.7946 5.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6573 -0.6120 3.9562 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 1 0 37 38 1 0 38 39 2 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 2 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 1 0 59 60 2 0 60 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 23 97 1 0 23 98 1 0 24 99 1 1 25100 1 0 25101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 57148 1 0 58149 1 0 58150 1 0 59151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M END