HMDB0068520 RDKit 3D TG(22:0/18:0/i-24:0) 203202 0 0 0 0 0 0 0 0999 V2000 -1.0315 2.0856 -8.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5664 1.1593 -9.4423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6525 1.1198 -10.4385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5041 0.3349 -11.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3444 -1.1204 -11.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1856 -1.7507 -10.9772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1537 -1.3229 -11.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3225 -1.9934 -10.8932 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4404 -1.6876 -9.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6173 -2.4502 -8.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9247 -2.2671 -7.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3195 -0.8615 -7.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -0.8052 -5.5516 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1073 0.5684 -5.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4328 0.5595 -3.6650 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 1.8960 -3.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2821 1.8942 -1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9861 1.6407 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3351 1.5658 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 1.2623 1.4574 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1418 2.0655 1.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1336 2.1950 0.6715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1918 1.6917 -0.4673 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9933 2.9380 0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 3.3124 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0953 4.2481 -0.8711 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2376 5.7136 -0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3690 6.2396 0.5702 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2732 6.1152 1.8984 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5900 5.3599 2.3789 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 6.8268 2.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9291 6.4032 4.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1911 4.9622 4.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5894 4.5105 4.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8468 3.0524 4.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9493 2.1196 3.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 0.6873 4.0552 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3272 -0.2272 3.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6287 -1.6733 3.5454 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8031 -2.6722 2.8657 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 -2.8251 3.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -3.2164 4.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1330 -2.2978 5.4898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8948 -0.9947 5.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -0.1259 6.4812 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3589 0.2422 6.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3286 1.1463 8.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1164 1.4280 8.3592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2915 2.3238 9.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7841 2.5534 9.8058 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9888 3.4491 10.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3941 2.8511 12.2208 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4419 3.7942 11.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5937 3.8723 -2.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 3.8276 -3.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2959 4.1419 -3.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5547 3.4440 -4.5582 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7515 2.5364 -4.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3324 1.2781 -3.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3362 0.4420 -4.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0156 -0.7356 -3.5667 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9858 -1.7005 -4.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2439 -2.7596 -3.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2200 -3.8193 -3.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4112 -4.7476 -2.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3774 -5.8604 -2.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 -6.7300 -1.4245 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1232 -5.9460 -0.2708 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3005 -6.8984 0.9104 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8533 -6.1359 2.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0411 -7.0550 3.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5988 -6.2894 4.4697 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8052 -7.1643 5.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8812 2.7135 -8.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3915 1.4937 -7.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 2.7013 -7.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3260 1.6685 -9.9095 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2770 0.2310 -8.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6077 0.8493 -9.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8563 2.1844 -10.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7073 0.8250 -12.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 0.5356 -12.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4270 -1.5596 -12.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 -1.5684 -11.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -2.8728 -11.2775 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2596 -1.7776 -9.8924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1248 -1.4642 -12.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -0.2041 -11.3625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2375 -1.6783 -11.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2689 -3.1131 -11.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6619 -0.6032 -9.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5001 -1.9701 -8.9269 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4822 -3.5343 -9.0834 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -2.1690 -9.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7254 -2.9763 -7.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0248 -2.5952 -6.8386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2139 -0.5460 -7.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 -0.1373 -7.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7786 -1.0969 -4.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -1.5268 -5.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3645 1.3476 -5.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 0.8631 -5.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2242 -0.1966 -3.4603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 0.2036 -3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 2.2601 -3.8633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1035 2.6373 -3.3627 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6584 2.8960 -1.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0514 1.1466 -1.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 0.6939 -1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3686 2.5360 -1.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1099 0.7172 0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9914 2.4485 0.7809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 0.1564 1.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8886 1.0294 2.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5723 1.5552 2.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3827 3.0890 2.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6981 2.3909 -0.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8790 3.6899 0.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1970 4.3610 -1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0731 6.3437 -1.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3515 5.8391 -0.5179 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0234 7.9354 2.7465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1867 6.5698 2.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1694 6.5676 4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4769 7.0746 4.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4674 4.2791 4.0860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 4.8185 5.6750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2604 5.0582 4.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9414 4.8214 3.2615 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7412 2.8911 5.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8916 2.8428 4.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9110 2.3009 4.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 2.2682 2.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2803 0.4814 3.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2570 0.4159 5.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2806 0.0585 3.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5595 -0.0986 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8521 -1.8708 4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6997 -1.8309 3.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 -3.7225 3.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9666 -2.5811 1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9748 -3.6387 2.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -1.9320 2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 -4.2720 4.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3437 -3.4324 4.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6574 -2.7876 6.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1079 -2.0261 5.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6159 -0.4796 4.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -1.2591 5.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3126 0.8346 6.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2565 -0.5574 7.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3111 -0.5796 7.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1215 0.8539 6.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 0.5909 8.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9044 2.0674 7.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6506 0.4689 8.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 1.9053 7.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7655 3.2851 9.4072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 1.8026 10.4564 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2448 3.0015 8.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2500 1.5607 9.9886 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4684 4.4273 10.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2522 1.7623 12.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3837 3.2777 12.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 3.0353 13.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6339 4.8866 11.0484 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7114 3.5343 12.2247 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1160 3.2325 10.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 4.3475 -5.1312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1853 2.8941 -5.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1895 2.2860 -5.3087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4902 3.1099 -3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7770 1.4982 -2.6800 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 0.6388 -3.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 0.1732 -5.3952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6010 1.0065 -4.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 -0.3066 -2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8835 -1.3001 -3.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9258 -1.2233 -4.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5171 -2.2607 -5.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6842 -2.2734 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2878 -3.2363 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1676 -3.3551 -3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7915 -4.4089 -4.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 -5.1194 -2.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8039 -4.1188 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3303 -5.4675 -3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 -6.4814 -3.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3504 -7.4923 -1.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6576 -7.2922 -1.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1335 -5.5613 -0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5383 -5.0635 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3582 -7.3759 1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0618 -7.6367 0.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8528 -5.6980 1.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1948 -5.2870 2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7563 -7.8538 3.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0986 -7.5404 3.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6225 -5.9179 4.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9989 -5.3898 4.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7917 -6.5871 6.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9818 -7.9070 5.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7629 -7.7345 5.6243 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 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 1 0 15 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 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 51 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 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 1 74 1 0 1 75 1 0 1 76 1 0 2 77 1 0 2 78 1 0 3 79 1 0 3 80 1 0 4 81 1 0 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 6 86 1 0 7 87 1 0 7 88 1 0 8 89 1 0 8 90 1 0 9 91 1 0 9 92 1 0 10 93 1 0 10 94 1 0 11 95 1 0 11 96 1 0 12 97 1 0 12 98 1 0 13 99 1 0 13100 1 0 14101 1 0 14102 1 0 15103 1 0 15104 1 0 16105 1 0 16106 1 0 17107 1 0 17108 1 0 18109 1 0 18110 1 0 19111 1 0 19112 1 0 20113 1 0 20114 1 0 21115 1 0 21116 1 0 25117 1 0 25118 1 0 26119 1 6 27120 1 0 27121 1 0 31122 1 0 31123 1 0 32124 1 0 32125 1 0 33126 1 0 33127 1 0 34128 1 0 34129 1 0 35130 1 0 35131 1 0 36132 1 0 36133 1 0 37134 1 0 37135 1 0 38136 1 0 38137 1 0 39138 1 0 39139 1 0 40140 1 0 40141 1 0 41142 1 0 41143 1 0 42144 1 0 42145 1 0 43146 1 0 43147 1 0 44148 1 0 44149 1 0 45150 1 0 45151 1 0 46152 1 0 46153 1 0 47154 1 0 47155 1 0 48156 1 0 48157 1 0 49158 1 0 49159 1 0 50160 1 0 50161 1 0 51162 1 0 52163 1 0 52164 1 0 52165 1 0 53166 1 0 53167 1 0 53168 1 0 57169 1 0 57170 1 0 58171 1 0 58172 1 0 59173 1 0 59174 1 0 60175 1 0 60176 1 0 61177 1 0 61178 1 0 62179 1 0 62180 1 0 63181 1 0 63182 1 0 64183 1 0 64184 1 0 65185 1 0 65186 1 0 66187 1 0 66188 1 0 67189 1 0 67190 1 0 68191 1 0 68192 1 0 69193 1 0 69194 1 0 70195 1 0 70196 1 0 71197 1 0 71198 1 0 72199 1 0 72200 1 0 73201 1 0 73202 1 0 73203 1 0 M END