HMDB0044969 RDKit 3D TG(18:0/20:1(11Z)/14:1(9Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -4.2639 -1.9557 -2.0692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5068 -0.8476 -2.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3600 0.4017 -2.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7325 1.5754 -3.4770 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5157 1.2407 -4.8910 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 1.2560 -5.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0739 1.6112 -4.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4322 2.8552 -5.4318 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 3.1268 -4.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 2.0483 -4.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0395 2.4334 -3.8559 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1585 1.3912 -3.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 1.8564 -2.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 1.8687 -1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0995 2.6490 -0.7283 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5937 1.0426 -1.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9745 1.0072 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8947 -0.0941 -0.0357 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9825 0.0747 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0751 -0.9664 -1.4617 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5552 -2.2100 -1.7967 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 -2.3843 -1.7991 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3475 -3.3354 -2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4877 -4.5958 -2.2615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1732 -5.7795 -2.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 -6.4316 -2.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2485 -6.9155 -0.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4875 -7.7644 -0.4409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3981 -8.2274 0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4928 -9.2306 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5043 -9.6885 2.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9582 -8.8508 3.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4517 -7.5093 4.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1599 -7.0345 5.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7455 -5.5877 5.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4242 -5.1676 6.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1401 -3.7121 7.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6877 -2.8065 6.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4047 -1.3501 6.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2704 -0.1586 1.2165 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4179 -1.2388 2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -2.1939 1.6625 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7768 -1.2365 3.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1864 0.0402 3.8306 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9463 0.5909 3.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4562 1.8554 3.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5359 2.9965 3.7260 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2809 3.6209 2.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6592 4.8062 2.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7191 5.5994 1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6438 6.8009 1.4039 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4940 7.7039 0.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 8.1454 -0.5946 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7715 7.8531 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9854 7.3507 -2.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4239 7.0827 -2.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5028 6.6717 -3.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9237 6.4680 -4.3467 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6516 5.3940 -3.5949 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0964 5.2795 -4.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7132 4.1541 -3.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 -1.6117 -1.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3391 -2.8481 -2.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7448 -2.1384 -1.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3053 -1.1127 -3.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5545 -0.6286 -2.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3387 0.1170 -3.2393 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 0.6512 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5089 2.4002 -3.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8431 1.9080 -2.9230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4027 0.9563 -5.4818 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3573 0.9771 -6.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0882 1.6335 -3.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3530 0.7795 -5.1012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0940 3.7507 -5.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2988 2.6553 -6.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3236 4.0812 -5.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 3.2724 -3.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4968 1.0679 -4.4035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2135 1.9888 -5.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7106 2.5100 -2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4643 3.4167 -4.1459 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8138 0.3767 -3.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5967 1.4504 -4.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0978 1.2071 -2.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4928 2.9016 -3.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 1.9956 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 0.7559 0.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5169 -1.0295 -0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5397 0.3891 -2.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 0.9774 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 -3.1281 -3.1658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1237 -3.4796 -1.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0684 -4.7433 -1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3095 -4.3170 -3.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4806 -5.5565 -3.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6071 -6.6147 -2.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2818 -5.8595 -2.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5190 -7.3872 -2.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 -6.0060 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3325 -7.4827 -0.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3927 -7.2123 -0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -8.6459 -1.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3827 -8.7143 1.0801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3916 -7.4071 1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4728 -8.8926 0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2459 -10.1263 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4418 -10.0640 2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0732 -10.6852 2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7708 -9.4605 4.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 -8.8352 3.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3745 -7.3950 4.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7732 -6.7204 3.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2281 -7.0807 5.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8543 -7.6925 6.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -5.4489 5.6786 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1425 -4.9475 4.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 -5.7878 7.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5139 -5.3844 6.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6544 -3.4680 8.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0409 -3.6085 7.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 -2.9948 5.2046 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7863 -2.9157 6.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9079 -0.7477 5.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3144 -1.1551 6.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8017 -1.1405 7.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 -2.0281 3.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -1.5604 4.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0159 0.7772 3.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2198 -0.1071 4.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7782 -0.1499 3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6394 0.8006 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8155 1.5616 4.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3845 2.1355 3.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4522 2.7214 4.1752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 3.7740 4.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2252 3.9690 1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 2.8710 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 5.4304 3.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6480 4.4366 2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2813 5.9673 0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0649 4.9813 0.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3050 7.3058 2.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 6.4589 1.5580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4265 8.0688 0.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9371 8.8408 -1.3792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 8.8057 -0.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1188 7.0660 -0.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6404 8.1841 -2.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3396 6.4816 -2.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0737 7.9608 -2.3449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8428 6.2559 -1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9391 5.7062 -4.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0396 7.4619 -4.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9725 6.2591 -5.4541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 7.4246 -4.2295 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6322 5.5265 -2.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 4.4062 -3.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0800 4.9244 -5.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6406 6.2143 -4.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5228 4.3586 -2.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7824 4.0369 -3.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1615 3.2107 -3.4763 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 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 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 18 40 1 0 40 41 1 0 41 42 2 0 41 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 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 0 17 88 1 0 18 89 1 6 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 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 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END