HMDB0005387 RDKit 3D TG(16:0/20:1(11Z)/20:4(5Z,8Z,11Z,14Z)) 169168 0 0 0 0 0 0 0 0999 V2000 10.3136 -2.6060 -4.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2361 -1.7544 -3.3858 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3666 -0.7624 -3.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3830 0.1212 -2.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1743 1.0321 -2.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0741 1.9304 -3.1797 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0237 1.9869 -3.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7983 1.1762 -3.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5130 0.3211 -4.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3826 0.4276 -5.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 1.3644 -5.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.5714 -4.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9518 0.5550 -5.4404 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 1.3240 -6.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6110 2.3346 -6.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9235 2.8395 -5.6564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0349 2.4868 -4.2278 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3331 3.7529 -3.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 3.5643 -1.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5303 2.8782 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4115 2.2108 -1.6839 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5947 2.9804 0.1691 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2600 2.3823 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1357 2.9156 2.4602 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3676 2.0911 3.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0324 0.7266 3.5377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 0.2298 3.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2030 1.0529 3.6195 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5176 -1.2385 3.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2188 -2.0083 3.6585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4456 -1.7365 4.9870 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 -2.5153 5.0056 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4174 -2.2298 6.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7694 -2.9112 6.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7104 -2.4308 5.3998 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0511 -3.1392 5.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0022 -2.7133 4.4903 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6852 -3.0299 3.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7018 -4.4077 2.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8213 -5.4697 3.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3491 -5.2919 2.9385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6894 -6.5322 3.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1821 -6.4717 3.4347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 4.2637 2.5443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 5.3282 2.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9330 5.0275 2.3404 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2370 6.7288 2.6490 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4956 7.2796 1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7181 6.4389 1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5481 7.0368 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7130 6.1311 -0.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 4.8149 -0.8304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4257 3.8682 -1.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8692 2.6180 -1.7836 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9165 1.5813 -2.0875 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4651 1.1142 -0.8015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 -0.1760 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7448 -1.2244 -1.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5463 -1.8713 -0.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 -2.9261 -1.4683 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7451 -3.5988 -0.8105 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6622 -2.6490 -0.4777 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5689 -3.1563 0.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4048 -4.1548 -0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -5.4610 -0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3699 -3.0914 -4.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0397 -3.4407 -4.4338 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7248 -2.0439 -5.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2925 -1.2532 -3.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3444 -2.4798 -2.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3447 -0.1618 -4.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3077 -1.3857 -3.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3241 0.7407 -2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5256 -0.4944 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3074 0.4787 -1.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4356 1.6900 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9382 2.5942 -3.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0580 2.6935 -4.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 1.9272 -3.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8954 0.5740 -2.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2996 -0.3974 -5.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2446 -0.2545 -6.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0514 1.9785 -6.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5754 2.0976 -4.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2560 -0.0519 -3.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1982 -0.1552 -4.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2226 0.4962 -7.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5418 1.6229 -7.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3423 2.7960 -7.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1407 3.6403 -5.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0463 2.2451 -3.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 1.6556 -3.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1689 4.2905 -3.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4656 4.4745 -3.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 4.6034 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5291 2.9942 -1.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3338 2.6090 0.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 1.2773 1.0412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2669 2.8399 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4676 2.2260 3.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0423 2.4699 4.5687 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 -1.4820 2.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1809 -1.5525 4.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4635 -1.8616 2.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4970 -3.0912 3.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1808 -2.2066 5.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5593 -0.6971 5.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4080 -2.2024 4.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -3.5944 4.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5114 -1.1446 6.4246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -2.6280 7.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6016 -3.9963 6.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1791 -2.6405 7.4438 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9586 -1.3513 5.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3710 -2.4508 4.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5188 -2.7509 6.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9603 -4.2044 5.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2349 -1.5953 4.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0140 -3.1725 4.7768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6815 -2.5300 2.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4020 -2.4240 2.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6078 -4.4052 1.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7693 -4.8161 2.7056 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -5.8251 4.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0967 -6.4009 2.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0939 -5.3261 1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -4.3951 3.3611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0286 -7.3741 2.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0439 -6.7394 4.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8487 -6.0152 2.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7970 -5.9071 4.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7453 -7.5047 3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0687 7.4085 2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5135 6.7164 3.4904 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7106 8.3352 1.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2377 7.2346 0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2946 5.4781 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3422 6.2882 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9744 8.0252 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9162 7.1406 -0.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1884 5.8699 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4605 6.6261 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6148 4.2717 -0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7746 4.9930 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7853 3.5308 -0.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1833 4.3099 -1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 2.9759 -2.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0868 2.1491 -1.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 0.8193 -2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7643 2.0253 -2.6816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9338 1.8122 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7797 -0.4615 0.4779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5475 -1.0475 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5064 -2.0836 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9683 -2.3995 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8272 -1.1041 -0.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6631 -3.7249 -1.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5683 -2.5080 -2.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0632 -4.1991 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -4.3025 -1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0930 -1.8673 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 -2.0646 -1.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 -3.4909 1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -2.2496 0.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7781 -3.7396 -1.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3527 -4.3708 0.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1757 -5.6503 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5400 -5.5915 -1.8396 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4183 -6.3107 -0.4573 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 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 2 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 24 44 1 0 44 45 1 0 45 46 2 0 45 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 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 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 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 10 82 1 0 11 83 1 0 11 84 1 0 12 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 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 6 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 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 43132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 65169 1 0 M END