HMDB0049489 RDKit 3D TG(18:1(11Z)/20:4(5Z,8Z,11Z,14Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 171170 0 0 0 0 0 0 0 0999 V2000 2.7776 -3.7973 4.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1205 -4.4358 3.2874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6714 -4.3044 3.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1512 -5.3297 3.4315 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -6.7254 3.3698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3241 -7.6117 2.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0299 -7.4284 1.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 -6.1589 0.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1608 -5.9535 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5141 -4.9476 -1.0605 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0515 -3.7918 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4214 -3.8038 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -2.8929 -1.0100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6123 -1.7016 -1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -0.4721 -1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7556 0.6322 -0.8673 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3611 0.9976 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1134 1.5669 0.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0001 2.7599 0.9303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 3.5303 2.1736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3964 4.2164 2.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6460 3.5659 2.7252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7220 4.2078 2.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9144 2.3193 3.2772 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2676 1.9035 3.4669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4617 0.5884 4.0776 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7864 0.5086 5.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3770 0.4768 5.2767 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5727 0.4284 6.3940 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0695 0.4116 7.5720 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8992 0.3967 6.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4046 0.1774 4.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8961 0.2073 4.9198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5540 -0.0117 3.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0417 0.0726 3.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8771 -0.1545 2.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6253 0.8303 1.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 0.5338 0.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3921 1.4491 -0.8749 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6183 2.8564 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 3.8106 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3726 3.6690 -1.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2241 4.5643 -2.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8289 4.4053 -3.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6268 5.2674 -4.2728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 5.1133 -4.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0426 3.6860 -5.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0371 -0.5530 3.3721 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9273 -1.5424 2.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1430 -1.3031 3.2760 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5828 -2.7663 2.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1862 -2.6612 0.8416 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1948 -2.0596 -0.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4854 -2.7710 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9569 -3.4040 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3663 -3.5756 -2.4920 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2715 -2.9819 -3.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9952 -2.1129 -4.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7700 -1.4300 -4.7190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5136 -1.6787 -4.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 -0.8564 -3.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8158 0.5526 -3.1742 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 1.4224 -3.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6749 2.0887 -2.8598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6859 2.0589 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4867 3.3736 -0.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2103 4.0763 -1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8985 4.4842 -2.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9529 5.3870 -3.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 -4.6182 5.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0459 -3.0950 4.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7541 -3.3727 4.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5288 -5.4313 3.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5432 -3.8375 2.4342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -3.2982 3.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2387 -5.0571 3.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2890 -6.8886 3.5019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2147 -7.1784 4.3645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 -8.7235 2.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -8.3630 0.6594 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -5.3428 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7103 -6.3488 0.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 -6.8011 -1.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2403 -4.8988 -2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3922 -3.7742 0.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4588 -2.8813 -0.7274 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9542 -4.6491 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2117 -3.0573 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8964 -1.8580 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5056 -1.6396 -1.6595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.4719 -1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5054 1.4327 -0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3573 0.1742 -0.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0957 1.8220 -1.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9593 1.7610 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4180 0.7926 1.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 3.4177 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0752 2.3794 0.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1334 2.8479 3.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7166 4.3127 2.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1980 4.8857 3.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5027 5.0381 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7083 2.6748 4.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8479 1.9577 2.5229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5396 0.4693 4.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0244 1.3507 6.1031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0898 -0.4400 5.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2577 -0.4814 6.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3577 1.2832 6.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9503 0.8717 4.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -0.8556 4.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2633 1.1596 5.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2521 -0.6036 5.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1782 0.6503 2.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3485 -1.0580 3.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -0.6501 4.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 1.0782 4.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8269 -1.2020 2.2187 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9450 -0.0120 2.8931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8010 1.8740 1.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5706 0.7175 1.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3821 -0.5223 -0.0470 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 0.5844 0.6553 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2365 1.1781 -1.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4307 1.3168 -1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6012 3.1403 -0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0909 4.8309 -0.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6067 3.9958 -0.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1968 2.6494 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9372 4.2346 -3.2759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3773 5.6281 -2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 4.6832 -2.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6937 3.3506 -3.3506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 6.3571 -4.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3748 5.0264 -5.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 5.3546 -4.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 5.8004 -5.7501 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1272 3.7154 -5.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8837 3.3275 -5.9452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8165 3.0939 -4.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4851 -3.4526 2.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8179 -3.3842 2.8411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0277 -3.7146 0.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1842 -2.1790 0.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7502 -1.9640 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3675 -0.9649 0.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0571 -2.7363 0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9608 -3.8784 -0.9572 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3704 -4.6980 -2.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3719 -3.1776 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3646 -3.3423 -3.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8854 -1.7796 -5.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9824 -0.3151 -4.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6900 -1.6236 -5.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1222 -2.7389 -4.2027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7911 -1.3742 -3.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7781 0.9665 -3.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6657 0.6829 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9523 1.6103 -4.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4315 2.7353 -3.3499 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7612 1.7639 -1.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9951 1.3463 -0.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3862 4.0300 -0.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5107 3.1309 0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2462 5.0388 -0.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3865 3.4275 -0.5717 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5170 3.7055 -3.0730 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 5.1860 -2.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9930 5.2962 -4.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 6.4476 -2.7196 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9321 5.0685 -2.5995 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 29 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 2 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 26 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 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 2 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 13 88 1 0 14 89 1 0 14 90 1 0 15 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 0 25104 1 0 26105 1 1 27106 1 0 27107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 61156 1 0 62157 1 0 62158 1 0 63159 1 0 64160 1 0 65161 1 0 65162 1 0 66163 1 0 66164 1 0 67165 1 0 67166 1 0 68167 1 0 68168 1 0 69169 1 0 69170 1 0 69171 1 0 M END