HMDB0047373 RDKit 3D TG(24:0/18:2(9Z,12Z)/24:1(15Z)) 203202 0 0 0 0 0 0 0 0999 V2000 -7.5852 3.8543 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7510 4.7242 1.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2922 6.1602 1.8701 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2707 6.0629 2.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6988 7.3995 3.3901 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0526 8.1258 2.3137 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7897 8.4533 2.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8477 8.1289 3.4195 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2417 9.3660 3.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9487 9.5809 3.9595 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9730 8.6426 3.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1889 9.3757 2.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7278 8.4233 1.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5851 9.1693 0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4177 8.1832 -0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 8.7969 -1.1294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1187 7.7925 -1.9857 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8078 6.7206 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9044 6.6307 -0.0182 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4232 5.6735 -1.9780 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0662 4.5827 -1.2946 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4811 4.5120 -1.7322 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2454 3.4875 -1.1568 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4667 3.2512 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8624 4.0863 0.9622 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2572 2.2410 0.8183 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5227 0.9349 1.1975 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5396 0.0742 1.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2446 -1.2488 2.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7459 -2.3560 1.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 -2.3277 1.0222 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -3.5607 0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8371 -3.7783 -0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -4.0857 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 -4.3276 -0.1214 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8529 -3.2177 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1780 -2.1244 -0.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8863 -1.4128 0.8987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0484 -0.2941 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5583 -0.2504 2.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7741 -1.3262 3.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4093 -1.9221 3.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5345 -0.9138 4.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8631 -1.5733 4.8178 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8302 -2.7484 5.7233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -2.4489 7.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -3.6987 7.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4974 -4.7955 7.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2420 3.3603 -1.7696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8940 3.5433 -1.3478 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8652 2.6926 -1.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1451 1.6774 -2.3759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4588 2.9072 -1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6246 1.8348 -1.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8073 1.8187 -1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4812 0.6961 -2.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 0.8887 -3.6707 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1515 -0.2749 -4.3920 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3747 -1.5370 -4.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 -2.7383 -4.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 -3.0399 -4.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3059 -3.2887 -2.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4565 -3.5512 -1.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3716 -4.6676 -2.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3027 -4.9859 -3.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0886 -5.2860 -4.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2222 -6.4121 -4.8924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5577 -7.7615 -4.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6200 -8.7731 -4.9431 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 -8.4585 -4.8043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6108 -8.2984 -3.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1241 -7.9597 -3.6909 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4275 -7.7541 -2.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0497 -7.4128 -2.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1731 -6.1409 -3.4225 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0218 2.9275 0.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9486 4.3324 0.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0098 3.4970 2.0288 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2087 4.2388 2.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4313 4.7936 0.7033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8856 6.5148 0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1659 6.7218 2.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7140 5.5017 3.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4319 5.4158 2.5828 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6173 7.9969 3.6845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1673 7.2288 4.3155 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6166 8.4462 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3416 9.0059 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1270 7.4103 3.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 7.6430 4.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9495 10.0941 4.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6368 10.5449 4.4092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 8.3569 4.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3813 7.7198 3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3807 10.1658 2.7932 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9230 9.8317 1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 7.5767 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 7.9787 2.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2731 9.8847 1.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9639 9.7211 -0.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7448 7.5400 -0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 7.5156 0.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 9.5465 -1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1789 9.3964 -0.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9001 8.3304 -2.6092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4390 7.3420 -2.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9648 4.7291 -0.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4573 4.2660 -2.8408 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9935 5.5109 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1050 1.9541 0.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7815 2.6112 1.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6109 1.1087 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2783 0.4829 0.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4582 -0.0190 1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9257 0.6995 2.7532 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5107 -1.0741 3.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1509 -1.6227 3.0340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4728 -2.5288 0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8993 -3.3282 2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1662 -1.4439 0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5993 -2.3376 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9459 -3.4665 -0.6571 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5232 -4.4521 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9076 -4.6471 -1.1520 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5598 -2.8798 -1.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0564 -5.1410 0.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7737 -3.4912 1.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6240 -5.2318 -0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 -4.7214 0.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5945 -2.8275 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0681 -3.7109 -1.5640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1597 -2.5002 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8467 -1.3175 -0.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2888 -1.9976 1.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7751 -0.8923 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8581 0.5173 0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9480 0.6234 2.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4731 -2.0861 3.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1436 -0.8626 4.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5578 -2.7855 4.6673 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0505 -2.3326 3.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1232 -0.4367 5.4828 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7355 -0.0984 3.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2499 -1.8985 3.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6276 -0.8279 5.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1941 -3.5674 5.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8709 -3.1710 5.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3260 -1.9989 7.0706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0002 -1.7089 7.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0160 -3.4726 8.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 -4.0608 7.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0612 -5.1939 6.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3270 -5.5792 8.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4537 -4.3842 7.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3447 3.2705 -2.8595 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7255 2.4836 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4489 2.7245 -0.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0911 3.9109 -1.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0622 0.8538 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7692 1.9901 -2.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3626 2.7466 -1.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 1.4629 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0082 -0.2748 -1.8778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 0.6092 -1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0967 1.8116 -3.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5125 1.0421 -4.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1917 -0.3017 -4.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2178 -0.0340 -5.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0196 -1.7543 -3.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4145 -1.3757 -4.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3927 -3.6196 -4.5383 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -2.7106 -5.9110 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1421 -2.3013 -4.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6427 -3.9978 -4.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6451 -2.4656 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5930 -4.1932 -2.6479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9838 -3.6582 -0.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0280 -2.5603 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7026 -5.6101 -1.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0105 -4.7232 -1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0136 -5.7959 -2.6657 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0829 -4.1080 -3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8626 -4.3988 -5.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1346 -5.5665 -4.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2134 -6.5231 -6.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 -6.2340 -4.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4247 -7.8343 -3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6105 -7.9909 -4.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 -9.7702 -4.4687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8723 -8.8288 -6.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -7.5667 -5.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 -9.3022 -5.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9961 -7.4369 -2.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6339 -9.2538 -2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0492 -7.0245 -4.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6729 -8.7741 -4.2859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 -6.8991 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4789 -8.6803 -1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5945 -8.2633 -3.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4954 -7.1961 -1.5999 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8553 -6.3539 -4.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2664 -5.8684 -3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6139 -5.3244 -2.9585 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 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 39 40 2 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 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 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 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 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 12 96 1 0 13 97 1 0 13 98 1 0 14 99 1 0 14100 1 0 15101 1 0 15102 1 0 16103 1 0 16104 1 0 17105 1 0 17106 1 0 21107 1 1 22108 1 0 22109 1 0 26110 1 0 26111 1 0 27112 1 0 27113 1 0 28114 1 0 28115 1 0 29116 1 0 29117 1 0 30118 1 0 30119 1 0 31120 1 0 31121 1 0 32122 1 0 32123 1 0 33124 1 0 33125 1 0 34126 1 0 34127 1 0 35128 1 0 35129 1 0 36130 1 0 36131 1 0 37132 1 0 37133 1 0 38134 1 0 38135 1 0 39136 1 0 40137 1 0 41138 1 0 41139 1 0 42140 1 0 42141 1 0 43142 1 0 43143 1 0 44144 1 0 44145 1 0 45146 1 0 45147 1 0 46148 1 0 46149 1 0 47150 1 0 47151 1 0 48152 1 0 48153 1 0 48154 1 0 49155 1 0 49156 1 0 53157 1 0 53158 1 0 54159 1 0 54160 1 0 55161 1 0 55162 1 0 56163 1 0 56164 1 0 57165 1 0 57166 1 0 58167 1 0 58168 1 0 59169 1 0 59170 1 0 60171 1 0 60172 1 0 61173 1 0 61174 1 0 62175 1 0 62176 1 0 63177 1 0 63178 1 0 64179 1 0 64180 1 0 65181 1 0 65182 1 0 66183 1 0 66184 1 0 67185 1 0 67186 1 0 68187 1 0 68188 1 0 69189 1 0 69190 1 0 70191 1 0 70192 1 0 71193 1 0 71194 1 0 72195 1 0 72196 1 0 73197 1 0 73198 1 0 74199 1 0 74200 1 0 75201 1 0 75202 1 0 75203 1 0 M END