HMDB0043191 RDKit 3D TG(15:0/14:1(9Z)/O-18:0) 151150 0 0 0 0 0 0 0 0999 V2000 4.8733 3.9843 -1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7673 3.7391 -0.6034 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2929 3.4709 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 3.2282 1.7557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6967 3.0113 3.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5561 1.9683 3.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7641 0.7702 3.4520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 0.6291 4.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7979 -0.5734 4.3528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2189 -0.4952 5.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1446 -1.6206 5.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0537 -1.9946 4.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0245 -0.9297 4.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 -1.5856 3.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6278 -2.5492 3.5814 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1179 -1.3405 1.7333 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 -2.1451 1.0312 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2517 -2.9560 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 -3.6567 0.6606 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5934 -4.4918 -0.2369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5686 -5.2911 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4333 -4.5932 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6197 -4.0545 0.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6733 -3.4088 1.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9570 -3.0816 0.4539 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4644 -2.2654 -0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -0.7637 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2443 -0.2261 -1.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0684 -0.5490 -3.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0640 0.1208 -3.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4574 1.5777 -4.1227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7581 2.3767 -5.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3618 2.7558 -5.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8772 3.6438 -3.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5933 3.9882 -4.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 4.8966 -3.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1511 4.4060 -1.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0732 -1.3496 0.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4641 -0.6217 -0.7942 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1613 0.1661 -1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4089 0.2247 -1.5717 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4160 0.8819 -2.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2579 -0.0666 -3.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 0.5169 -5.0749 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0683 0.8875 -4.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0410 -0.1275 -4.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0587 -1.0494 -3.4803 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0376 -0.5038 -2.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8315 0.3463 -1.7496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1385 0.8042 -0.3127 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 1.6328 0.2882 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4685 2.0766 1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7283 2.9259 1.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 3.2904 3.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2076 4.1505 3.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6215 4.6762 -1.1588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4460 4.4275 -2.5159 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3408 3.0080 -1.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1108 4.6481 -0.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1271 2.8958 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 4.3495 1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9393 2.5718 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5221 2.4098 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5161 4.1751 1.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3286 3.8408 3.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0700 1.9580 4.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4072 0.8235 2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4598 -0.1081 3.4848 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0747 1.5665 4.4775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 0.5550 5.4712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3843 -1.5094 4.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 -0.6113 3.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3898 -0.3757 6.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7841 0.4712 5.3687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7725 -1.4804 6.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5545 -2.5667 5.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4626 -2.3782 3.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 -2.8595 4.8336 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -0.0504 3.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5786 -0.5943 4.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5413 -2.8300 1.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0003 -3.6000 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8798 -2.2424 -0.7061 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -5.1831 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -3.8645 -1.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 -6.0627 -0.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1216 -5.9218 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1391 -5.3339 1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6945 -3.7770 1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0932 -4.9236 -0.3746 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1835 -3.3396 -0.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8383 -4.1982 1.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1822 -2.5873 1.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6770 -2.8355 1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4837 -4.1552 0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0423 -2.6477 -1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6043 -2.4546 -0.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5947 -0.3795 0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2895 -0.5030 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2733 -0.5587 -1.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2933 0.8870 -1.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0497 -0.4816 -3.6358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8463 -1.6704 -3.1862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0416 -0.3298 -4.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0497 0.0897 -3.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5485 1.5266 -4.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3918 2.0274 -3.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0711 1.9915 -6.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 3.3895 -5.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6181 1.9463 -5.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1829 3.3999 -6.0214 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0100 3.1483 -2.9809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4781 4.5761 -3.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5537 4.5983 -5.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 3.1072 -4.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5876 5.8798 -3.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2110 5.2106 -3.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1793 4.6042 -1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 5.0284 -1.2107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5014 3.3636 -1.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6780 -0.7025 0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8059 -2.0519 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1332 1.6823 -3.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5233 1.3885 -2.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0266 -1.0564 -3.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3280 -0.1678 -4.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0772 1.4106 -5.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5467 -0.1918 -5.9419 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9982 1.7234 -4.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7435 1.4525 -5.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 0.3894 -4.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9818 -0.7825 -5.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1149 -1.6908 -3.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -1.7783 -3.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9191 -0.0527 -1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8678 -1.4315 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 1.2287 -2.3778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 -0.2614 -1.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4004 -0.0807 0.2975 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 1.4255 -0.3339 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2927 2.4438 -0.3422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8087 0.9117 0.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 2.5378 2.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7668 1.1492 2.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5699 2.2844 1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 3.8455 1.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0609 3.7783 3.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1456 2.3455 3.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 3.5369 3.5803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4147 4.6593 2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9659 4.9112 4.0779 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 1 0 22 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 17 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 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 6 66 1 0 7 67 1 0 7 68 1 0 8 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 17 81 1 1 18 82 1 0 18 83 1 0 20 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 24 92 1 0 24 93 1 0 25 94 1 0 25 95 1 0 26 96 1 0 26 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 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 37120 1 0 38121 1 0 38122 1 0 42123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 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 55151 1 0 M END