HMDB0048467 RDKit 3D TG(16:1(9Z)/16:0/20:3n6) 159158 0 0 0 0 0 0 0 0999 V2000 -5.1362 -9.1231 -3.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3386 -7.9068 -3.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1558 -8.3440 -2.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -7.1489 -2.0651 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1935 -7.6019 -1.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4863 -6.4121 -0.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2963 -6.0906 0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8178 -6.9673 1.5991 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7562 -6.2585 2.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6643 -6.1746 3.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6312 -6.7705 4.5760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2521 -6.0559 5.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 -4.8301 5.7653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3522 -3.6864 5.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6886 -2.7007 4.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0809 -1.4069 4.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2470 -0.5145 3.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8686 0.8530 3.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0302 0.9480 2.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3048 2.3878 1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0095 3.2222 2.8527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9164 2.8717 0.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 4.2572 0.6847 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8242 4.5371 -0.6776 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0559 6.0105 -0.7396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7686 6.6102 -0.4776 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 6.4655 -1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 5.7763 -2.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6067 7.1077 -0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3620 8.4818 -0.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 9.1355 0.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4123 8.3128 1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6541 8.1794 2.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 7.3341 3.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7048 7.8716 3.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 7.0620 4.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4214 6.3676 4.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1802 6.3171 3.4240 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2381 4.8866 2.9648 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9705 4.6643 1.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3241 5.4176 0.5649 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 5.1809 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9772 3.6945 -1.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9621 3.7276 -0.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9783 2.8418 -1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8982 2.8542 -2.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9632 1.8744 -2.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1701 1.6722 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0933 0.5934 -2.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2940 -0.6893 -2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0432 -1.8809 -2.8255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0463 -3.0663 -2.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8648 -2.7498 -3.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8027 -3.8526 -3.7018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6669 -3.3864 -4.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -4.3988 -4.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5200 -3.8322 -5.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7706 -4.5324 -5.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7509 -4.6914 -4.6769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 -5.4222 -3.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6014 -5.5418 -2.5795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9518 -9.9725 -3.1229 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7132 -9.4370 -4.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2010 -8.8982 -3.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 -7.3366 -4.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0469 -7.2815 -2.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5358 -8.8992 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5228 -9.0371 -3.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9787 -6.5702 -2.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0397 -6.4799 -1.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -8.1502 -1.9066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6448 -8.2531 -0.4498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0844 -5.7427 -1.4866 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2384 -5.2008 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1515 -7.1462 2.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0947 -7.9736 1.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6174 -5.7372 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4948 -5.6101 4.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0227 -7.5107 3.9615 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 -7.5407 5.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9930 -6.7617 6.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 -4.5551 6.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8129 -3.1704 6.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1451 -3.8537 4.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3110 -3.1611 3.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3674 -2.4680 5.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5075 -0.8910 5.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5991 -1.5719 3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8519 -0.9762 3.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9718 -0.4519 4.7198 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 1.4678 3.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3384 1.3224 4.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9220 0.3965 2.4160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 0.4807 1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 4.8113 0.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8956 4.6253 1.4547 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0564 4.2593 -1.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6554 6.2981 0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 6.3897 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0579 6.4717 -0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3178 7.1488 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7081 8.3995 0.5644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 9.0880 -1.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 9.2310 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4632 10.1446 0.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7050 7.3270 0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3556 8.8982 1.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3513 9.1757 2.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6781 7.6635 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4586 6.2868 3.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7516 7.2908 4.3613 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 8.1103 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4751 8.8737 4.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8253 7.0362 5.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8560 5.7811 5.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2464 6.5721 3.7207 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9102 7.0512 2.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 4.3938 2.9625 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8244 4.3466 3.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 3.5714 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0492 4.9775 1.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3094 6.5054 0.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2710 5.0872 0.4878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4600 5.7338 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0692 5.5143 -0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7499 3.1707 -0.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9609 3.2862 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1469 3.5792 -2.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 2.1348 -3.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4789 0.8584 -2.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7840 2.5821 -1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9377 1.3116 -0.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 0.4230 -1.4580 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5185 0.9076 -3.1338 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5593 -0.4184 -3.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6974 -0.9324 -1.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2811 -1.6697 -3.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9371 -2.1418 -2.2506 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6100 -3.8863 -3.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7854 -3.2568 -1.7955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3705 -1.8055 -3.3520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1773 -2.5944 -4.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4165 -3.9385 -2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2456 -4.7976 -4.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -2.4361 -4.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0890 -3.2531 -5.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2853 -4.6004 -3.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 -5.3313 -5.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7325 -2.7885 -5.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0085 -3.5564 -6.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2667 -4.0255 -6.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5016 -5.5591 -6.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1031 -3.6637 -4.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7301 -5.1172 -5.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 -6.3963 -3.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6416 -4.7697 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -6.2229 -1.7507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 -4.4901 -2.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4114 -5.8640 -3.2427 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 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 2 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 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 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 0 23 96 1 0 24 97 1 6 25 98 1 0 25 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 35113 1 0 36114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 43126 1 0 43127 1 0 43128 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 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END