HMDB0045188 RDKit 3D TG(18:0/20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) 169168 0 0 0 0 0 0 0 0999 V2000 -1.7785 0.5029 4.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8885 1.8645 4.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6479 2.2360 5.5230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1278 1.3629 6.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8770 1.0289 7.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1246 0.2973 7.6713 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -0.9440 8.1609 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3577 -1.7423 8.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 -2.9987 8.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9958 -3.6050 7.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -3.1092 6.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8707 -4.1425 5.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9203 -4.6073 4.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0468 -4.2159 3.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0010 -3.6855 2.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0152 -4.1656 1.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1337 -5.2347 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3042 -4.6159 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3242 -5.5867 -0.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4928 -4.9091 -2.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5498 -5.4334 -2.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0994 -3.7161 -2.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7269 -2.9244 -3.5190 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1692 -1.6051 -2.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -0.6651 -3.6452 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8451 -0.6119 -4.4214 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 -1.6121 -4.5259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1372 0.7204 -5.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7968 1.8401 -4.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6087 2.0201 -2.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 0.8383 -2.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5594 1.2142 -0.8240 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8113 -0.0685 -0.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8363 -0.9498 -0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0325 -2.2024 -0.0685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 -3.3656 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5774 -3.5060 -2.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 -4.1883 -2.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7006 -4.4209 -4.1675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 -5.3386 -4.6482 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7042 -5.4451 -6.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -6.3523 -6.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3297 -6.1433 -6.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 -6.3090 -5.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0111 -2.6278 -4.7733 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1898 -1.9319 -4.5055 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0073 -1.4894 -5.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5715 -1.7696 -6.7032 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 -0.7580 -5.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8511 -0.8765 -3.9807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1000 -0.0270 -3.9550 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8596 -0.0577 -2.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1355 0.3411 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 1.7087 -1.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8634 1.9666 -0.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 3.3059 -0.0398 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 4.4737 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3493 5.7929 -0.2280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7975 6.0169 1.1389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 7.3044 1.2969 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7969 8.5418 0.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9179 9.7508 1.1979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4559 9.8944 2.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 11.1488 2.7157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6289 11.0141 1.8219 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1648 0.5541 3.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3503 -0.2790 4.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7041 0.2232 4.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7709 1.9758 5.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9808 2.5777 3.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 3.3263 5.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1836 2.2788 4.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1440 0.3613 6.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 1.8004 6.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 2.0709 8.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2203 0.6111 8.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 0.7669 7.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3409 -1.3305 8.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4343 -1.1350 9.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7573 -1.9891 9.9462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 -3.5298 9.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4699 -4.5797 7.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 -2.9316 5.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3715 -2.1866 6.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5602 -4.5008 6.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6798 -5.3740 4.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2635 -3.5026 3.6847 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6073 -5.2132 3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6676 -2.8838 2.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7506 -3.7129 0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 -5.6146 1.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7874 -6.0282 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0801 -4.3713 -1.1867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8801 -3.6645 -0.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8560 -6.4216 -1.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2951 -6.0079 -0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6925 -3.4640 -3.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2324 -1.1402 -2.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7445 -1.9054 -1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 0.7584 -5.9655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 0.7334 -5.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 1.8044 -3.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8772 2.7839 -4.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0799 2.8105 -2.3392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6343 2.4357 -3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7899 0.5191 -1.6638 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3386 0.0609 -2.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4943 1.7384 -1.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8714 1.8371 -0.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8640 -0.5798 0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2827 0.2127 0.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 -0.3620 -0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7629 -0.9785 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2954 -2.1292 1.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0651 -4.3183 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7660 -4.3049 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1645 -2.6708 -2.5890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9560 -5.1879 -2.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6906 -3.6039 -2.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 -3.4666 -4.7406 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6456 -4.9653 -4.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7327 -6.3200 -4.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6209 -4.8882 -4.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6372 -4.4340 -6.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7658 -5.7597 -6.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0322 -7.4490 -6.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 -6.2511 -7.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0994 -5.1138 -7.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 -6.8253 -7.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 -6.9128 -5.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4494 -5.3047 -5.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4151 -6.8313 -4.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1316 -3.4963 -5.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6560 -1.9173 -5.3619 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2429 0.3002 -5.6547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0270 -1.2203 -6.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1375 -0.5510 -3.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1362 -1.9213 -3.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8976 1.0085 -4.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 -0.4566 -4.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2485 -1.0925 -2.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7950 0.5664 -2.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9037 0.3540 -0.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 -0.4354 -1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7398 1.8325 -2.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3075 2.4516 -1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0965 1.1874 0.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6469 1.8977 0.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 3.3354 -0.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 3.4091 1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9284 4.5290 0.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5153 4.3814 -1.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5200 5.8579 -0.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0802 6.5961 -0.4459 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 5.9246 1.8934 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 5.2051 1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0903 7.2913 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 7.3614 2.3736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6692 8.6549 1.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1089 8.5879 -0.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4491 10.6948 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9906 9.6965 0.5680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2805 10.0422 3.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7767 9.0550 2.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2613 11.3464 3.7521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2099 11.9865 2.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 11.4007 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 11.5182 2.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9183 9.9415 1.6943 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 2 0 26 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 2 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 43 44 1 0 23 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 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 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 6 24 98 1 0 24 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 36115 1 0 37116 1 0 37117 1 0 38118 1 0 38119 1 0 39120 1 0 39121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 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