HMDB0042129 RDKit 3D TG(14:0/16:0/16:1(9Z)) 147146 0 0 0 0 0 0 0 0999 V2000 -5.6740 2.0387 3.9615 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0365 0.7203 3.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7572 -0.4480 4.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7457 -0.4136 5.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -0.4536 6.2600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6358 -1.6972 5.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3333 -1.8860 6.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1997 -2.0030 5.8623 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 -1.9595 4.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -0.9287 4.1377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3739 0.4480 4.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 1.4155 4.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5783 2.8002 4.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1642 3.8000 4.0999 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5341 3.7501 3.6355 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8949 2.8738 2.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 2.8136 2.1586 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0026 2.0833 1.8038 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4961 1.2859 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 0.4948 0.0627 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7437 1.3727 -0.3456 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8169 0.5492 -0.7068 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0292 0.9901 -1.1555 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2453 2.2022 -1.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 -0.0528 -1.4701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7785 -1.2490 -0.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6495 -2.4232 -0.7470 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0810 -2.2787 -0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5844 -1.8065 0.8094 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3562 -2.3999 2.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7556 -3.7910 2.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0287 -4.8995 1.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5581 -4.9282 2.1274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 -6.0574 1.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4277 -6.1739 1.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1541 -6.4139 3.1836 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6382 -6.5088 3.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9213 -0.2663 -1.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8454 -1.6302 -1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 -2.2468 -0.1716 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3628 -2.4086 -2.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5107 -2.3104 -3.5105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4468 -0.8685 -4.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 -0.8222 -5.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 0.5336 -5.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1376 1.4965 -4.8863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3194 2.8728 -5.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1897 3.6371 -5.9189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 3.9483 -5.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8369 2.8267 -4.6284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 3.2783 -3.7983 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 4.1777 -4.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1545 4.6152 -3.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9571 5.5187 -4.6803 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2060 6.0263 -3.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6722 2.7329 3.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7243 1.9105 4.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0381 2.4641 4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1572 0.6273 2.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9605 0.7105 3.7739 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8259 -0.4450 3.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3321 -1.3785 3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3335 -1.3135 6.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3174 0.4483 6.0781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7737 0.4360 5.9244 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4168 -0.3391 7.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2768 -2.5651 6.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6181 -1.7255 4.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3731 -1.9268 7.5941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3148 -2.1497 6.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8741 -1.6654 3.8122 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6162 -2.9509 4.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2504 -0.8850 3.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9953 -1.2318 4.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5800 0.3820 5.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2796 0.7402 4.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6273 0.9273 5.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0906 1.3249 3.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2950 2.8650 5.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6590 3.2329 4.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 4.0806 3.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0668 4.8208 4.6610 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8648 4.8106 3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2093 3.4899 4.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 1.9435 0.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2776 0.6380 1.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0680 -0.2757 0.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 1.9135 -1.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0024 2.0883 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.4017 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0562 -0.2122 -2.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6641 -0.8866 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7288 -1.5817 -0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -3.2674 -0.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6153 -2.8055 -1.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5293 -1.5822 -1.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5868 -3.2514 -0.7572 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4505 -0.6527 0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7441 -1.7949 0.6961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3013 -2.2870 2.5020 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9302 -1.7591 2.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7456 -4.0071 3.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8432 -3.9281 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4454 -5.8562 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2091 -4.9927 0.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 -5.0960 3.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0174 -4.0079 1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9903 -5.8962 0.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4298 -6.9913 1.6878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0411 -7.0592 1.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 -5.2901 1.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5349 -5.5919 3.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -7.3892 3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1533 -5.9169 2.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3058 -6.1498 4.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3450 -7.5847 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5005 -3.4608 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 -2.0096 -2.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4942 -2.7149 -3.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9689 -2.9679 -4.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0454 -0.2739 -3.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 -0.5378 -4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -1.2704 -4.9881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -1.5119 -5.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4572 0.8416 -6.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1837 0.4700 -6.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2368 1.0996 -4.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 1.3972 -3.8378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7570 3.4700 -4.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1862 2.8447 -6.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 3.2445 -6.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 4.6531 -6.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 4.6548 -4.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6601 4.6263 -5.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2562 2.1295 -4.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3098 2.2618 -5.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6177 2.3266 -3.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7346 3.6761 -2.8166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3398 3.6253 -5.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3744 5.0979 -4.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7561 3.7445 -3.4768 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7991 5.2270 -2.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3301 6.3723 -4.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3021 4.9746 -5.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 6.4508 -3.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6508 6.8311 -4.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9727 5.2199 -3.8907 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 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 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 20 38 1 0 38 39 1 0 39 40 2 0 39 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 47 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 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 19 85 1 0 19 86 1 0 20 87 1 1 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 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 36113 1 0 37114 1 0 37115 1 0 37116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 43121 1 0 43122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 55147 1 0 M END