HMDB0047477 RDKit 3D TG(24:0/20:4(5Z,8Z,11Z,14Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 191190 0 0 0 0 0 0 0 0999 V2000 -5.3649 3.4458 8.4841 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9547 2.0950 8.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3109 1.9007 8.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5785 2.0319 6.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9055 1.1535 5.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4513 1.3508 5.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8228 1.7418 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4588 2.0378 3.3734 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8516 1.1046 2.3944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4485 0.2152 1.6762 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9262 -0.0202 1.7248 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4025 0.2153 0.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9587 -0.7035 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1618 -2.0895 0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 -2.9539 -0.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3988 -3.7163 -0.3210 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0345 -3.7982 1.1135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1825 -5.2322 1.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2161 -5.9524 1.9485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8722 -5.4157 2.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8603 -6.2002 1.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4867 -5.6710 1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3489 -4.8028 2.4600 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4376 -6.1476 0.8679 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8780 -5.7079 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9699 -4.2376 0.7054 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6034 -4.0910 -0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2717 -4.8554 -1.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -5.0071 -2.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4180 -4.3182 -1.4114 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9555 -5.9531 -3.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2872 -6.5000 -3.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8858 -7.3822 -2.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1964 -6.8261 -0.8916 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2610 -5.7268 -0.9451 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5052 -5.1712 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5542 -4.1086 0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2139 -2.9943 -0.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1321 -1.8010 -0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7885 -0.7880 -1.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3161 -0.4428 -1.3993 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1174 0.6024 -2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6164 0.9023 -2.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 -0.3642 -3.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 -0.1129 -3.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8247 -1.4341 -3.7846 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3619 -1.3190 -4.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0771 -0.3323 -5.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4036 -0.3387 -5.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -1.6637 -6.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2677 -1.7520 -6.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6214 -0.7072 -7.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0863 -0.8015 -7.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2892 -3.7434 0.8497 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4786 -2.6962 1.7581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4398 -2.3197 2.3880 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 -2.0349 1.9874 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -0.6354 2.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9516 0.3123 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6430 -0.0739 0.9097 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5239 0.5953 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3717 1.8586 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1960 2.8471 0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3881 3.9147 0.5001 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7386 4.4234 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5279 4.4745 -0.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9676 5.5817 -0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7229 6.8932 -0.1823 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0244 7.5625 0.0549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 8.6974 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4104 9.3934 -1.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0317 10.7672 -0.8775 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 11.4058 -1.8248 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7712 10.6637 -1.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1432 11.4159 -2.9511 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1660 4.1395 8.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8086 3.8835 9.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6145 3.3641 7.6669 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2675 1.2577 8.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1344 2.1699 9.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0152 2.6033 8.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6703 0.8785 8.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6945 1.8554 6.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4717 3.1133 6.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4092 1.1499 4.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0380 0.0870 6.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8076 1.1655 6.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 1.8487 4.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0385 3.0584 3.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5154 2.0692 3.4648 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 1.1856 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8184 -0.3941 0.9985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3509 0.7958 2.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0759 -0.9974 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2702 1.2330 -0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2909 -0.4287 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2718 -2.3497 -0.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1283 -2.2418 1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6044 -2.9172 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7882 -4.3666 -0.9806 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7134 -3.2696 1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 -3.3872 1.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1898 -5.6602 1.2954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4432 -7.0276 2.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -5.6517 3.2769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7029 -4.3715 2.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 -7.2336 1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1809 -6.1282 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2423 -5.9480 2.0506 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5120 -6.3257 0.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2413 -3.6992 1.3035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 -2.9647 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5201 -4.1996 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1739 -6.8083 -3.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 -5.4431 -4.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0249 -5.6457 -3.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3690 -7.0759 -4.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1368 -8.2365 -2.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8095 -7.9092 -2.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3276 -6.4691 -0.3328 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6420 -7.6808 -0.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0450 -4.9828 -1.7192 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2116 -6.2422 -1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8466 -6.0483 1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5454 -4.8669 0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5499 -4.5459 0.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5907 -3.7355 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 -2.6531 -0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3524 -3.4462 -1.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2082 -2.0913 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0333 -1.3939 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3528 0.1752 -1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1105 -1.1902 -2.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9961 -0.0393 -0.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7227 -1.3496 -1.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4790 0.1895 -3.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6700 1.5213 -2.2220 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1882 1.3524 -1.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5606 1.6424 -3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4410 -0.9087 -3.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9189 -1.0088 -2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.7110 -4.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9812 0.1049 -2.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9388 -2.1086 -2.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3396 -1.8381 -4.6863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1100 -2.2807 -4.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1742 -0.9025 -3.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6377 -0.6177 -6.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3104 0.7188 -4.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9710 -0.2076 -4.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7041 0.5040 -6.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 -2.5199 -5.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2579 -1.7518 -7.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4472 -2.7871 -6.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8874 -1.6725 -5.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0136 -0.7700 -8.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4914 0.3356 -7.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4431 0.2049 -8.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2100 -1.5044 -8.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6673 -1.2054 -7.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3774 -2.0994 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -2.5526 2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8593 -0.6904 3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4970 -0.1793 2.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6804 0.5481 0.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 1.2842 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -0.9704 0.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4030 0.1734 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2407 2.1962 2.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 1.6783 2.5528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1979 2.6211 0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1385 4.5632 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 5.3404 1.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 3.6926 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7191 3.4858 -0.7831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5543 5.5713 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2703 6.8295 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0199 7.4345 -0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7480 7.1045 0.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2908 9.1746 -0.3090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5140 8.9020 -1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0353 9.5588 -2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8984 11.4164 -0.6955 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4861 10.5739 0.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5761 11.5216 -2.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 12.4467 -1.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8372 9.6434 -2.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2930 10.6175 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2779 11.4265 -3.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2381 12.4388 -2.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1719 10.9685 -2.9646 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 2 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 1 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 26 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 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 2 0 67 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 1 0 73 74 1 0 74 75 1 0 1 76 1 0 1 77 1 0 1 78 1 0 2 79 1 0 2 80 1 0 3 81 1 0 3 82 1 0 4 83 1 0 4 84 1 0 5 85 1 0 5 86 1 0 6 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 10 92 1 0 11 93 1 0 11 94 1 0 12 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 1 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 50152 1 0 50153 1 0 51154 1 0 51155 1 0 52156 1 0 52157 1 0 53158 1 0 53159 1 0 53160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 64172 1 0 65173 1 0 65174 1 0 66175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 70180 1 0 71181 1 0 71182 1 0 72183 1 0 72184 1 0 73185 1 0 73186 1 0 74187 1 0 74188 1 0 75189 1 0 75190 1 0 75191 1 0 M END