HMDB0050401 RDKit 3D TG(20:1(11Z)/22:0/20:2n6) 191190 0 0 0 0 0 0 0 0999 V2000 -0.3402 -2.0851 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9022 -3.3983 -0.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1832 -4.4405 -0.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2844 -5.8025 -1.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9308 -6.7370 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6519 -8.0845 -1.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 -8.6782 -2.4592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4751 -8.0372 -3.1483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -8.7964 -3.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 -8.3644 -2.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -7.0526 -1.9153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1367 -6.2441 -2.5204 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9704 -5.8614 -3.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7743 -4.9685 -4.0619 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -4.5177 -5.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1968 -3.6445 -5.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7240 -3.0652 -6.6013 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4799 -2.2297 -6.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 -1.1668 -5.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8482 -0.2194 -5.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2036 -0.2313 -6.9000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4319 0.6251 -4.7781 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 1.5136 -5.1488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0269 2.2470 -3.9851 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4216 1.3421 -2.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4172 0.4695 -2.8686 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -0.6779 -3.5218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8200 -1.0877 -4.3537 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -1.5021 -3.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4661 -1.6072 -1.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6760 -2.2478 -0.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4074 -1.5462 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5654 -2.0482 0.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 -3.4449 0.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2819 -3.6918 1.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1047 -2.7671 1.8215 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2721 -2.9566 3.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6654 -4.2777 3.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 -4.4617 3.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -3.3689 3.1737 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 -3.1917 4.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3891 -2.0321 4.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3078 -1.6453 5.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2232 -2.7425 5.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1369 -3.2886 4.6127 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0043 -4.3743 5.2399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9423 -4.9788 4.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9188 2.9983 -3.4045 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9562 4.3446 -3.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9465 5.0106 -3.5831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7703 5.0650 -2.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9588 4.7318 -1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9925 5.2699 -0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5469 4.8833 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 5.4675 0.8049 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7155 5.1977 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5485 5.7095 1.8530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1563 4.9903 3.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8403 5.3646 4.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3037 5.2608 4.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9170 3.9129 4.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4283 4.1004 4.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2093 2.8683 4.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6678 2.9077 4.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6012 3.7075 3.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3511 5.1767 3.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5060 5.9112 2.7882 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1607 7.3910 2.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9226 8.0418 4.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5678 9.4994 3.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2857 10.2555 5.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1698 -1.3495 -0.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2194 -2.1758 0.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3926 -1.6403 -1.1318 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7953 -3.6430 -0.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1510 -3.2671 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0927 -4.1019 -1.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3423 -4.5777 0.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5867 -5.7768 -2.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0730 -6.1645 -0.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9793 -6.7838 0.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8462 -6.2469 -1.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2066 -8.6176 -1.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 -9.7046 -2.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1831 -8.0938 -4.2601 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 -6.9833 -2.9384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7024 -9.8438 -3.4705 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7071 -9.0626 -2.4954 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1023 -6.4521 -1.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3546 -7.2424 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2761 -5.3610 -1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1195 -6.7993 -2.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -6.7498 -4.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9048 -5.3482 -4.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9325 -5.4085 -3.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0354 -4.0433 -3.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2797 -5.3300 -6.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2999 -3.8789 -5.7979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4009 -2.9043 -4.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4217 -4.3365 -4.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4807 -2.5142 -7.1765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4248 -3.9393 -7.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 -1.8130 -7.2708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -2.8615 -5.9186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9432 -1.5485 -4.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7992 -0.5683 -5.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 2.2712 -5.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1993 1.0104 -5.7931 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8146 2.9460 -4.2761 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6014 2.0705 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4197 0.8846 -2.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7123 -1.1809 -4.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6556 -2.5366 -3.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7764 -0.5547 -1.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4507 -2.1603 -2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3461 -2.2111 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5418 -3.3355 -1.1569 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7693 -1.6948 -1.5801 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6177 -0.4885 -0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 -1.7977 1.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6300 -1.3956 0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4132 -3.6474 -0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9115 -4.1980 0.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9371 -3.5111 2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9537 -4.7493 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5168 -2.7661 0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5188 -1.7177 1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0290 -2.8675 3.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -2.0934 3.2521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3538 -5.1569 3.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0091 -5.4675 3.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2333 -2.3948 2.8675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3622 -3.7458 2.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -3.0180 5.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -4.1006 4.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 -2.3695 3.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7723 -1.1737 3.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9512 -0.7758 4.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -1.2582 6.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9110 -2.2409 6.4242 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6300 -3.5130 6.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5823 -3.7351 3.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8033 -2.5157 4.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3308 -5.1664 5.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6262 -3.9430 6.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8050 -6.0929 4.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7322 -4.6295 3.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0153 -4.8068 4.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8479 4.5910 -2.9256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8584 6.1398 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0524 3.6274 -0.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9778 5.1329 -0.8120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2781 4.8765 0.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 6.3944 -0.0277 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1986 5.2709 -1.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 3.7719 -0.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1369 5.0724 1.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1106 6.5722 0.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1621 5.6702 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9469 4.1142 0.6013 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3467 6.8129 1.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6100 5.5378 1.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0475 5.1554 3.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2290 3.8895 2.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 4.7742 5.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5685 6.4291 4.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6046 5.5043 5.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7965 6.0769 3.8461 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 3.1965 4.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6891 3.5174 3.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7766 4.9463 3.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5097 4.4267 5.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 2.3928 3.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7999 2.0929 4.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0881 1.8230 4.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8225 3.1179 5.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6758 3.5688 3.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6278 3.2845 2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0050 5.6570 4.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5207 5.2745 2.6950 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3844 5.8315 3.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6451 5.5355 1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2716 7.5428 2.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0328 7.8878 2.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7828 7.9969 4.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0459 7.6449 4.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4584 9.9903 3.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6567 9.5498 3.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2280 10.1966 5.2886 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8595 9.8424 5.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5483 11.3453 4.9297 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 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 1 0 27 28 2 0 27 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 2 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 24 48 1 0 48 49 1 0 49 50 2 0 49 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 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 7 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 11 89 1 0 11 90 1 0 12 91 1 0 12 92 1 0 13 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 17101 1 0 17102 1 0 18103 1 0 18104 1 0 19105 1 0 19106 1 0 23107 1 0 23108 1 0 24109 1 6 25110 1 0 25111 1 0 29112 1 0 29113 1 0 30114 1 0 30115 1 0 31116 1 0 31117 1 0 32118 1 0 32119 1 0 33120 1 0 33121 1 0 34122 1 0 34123 1 0 35124 1 0 35125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 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 47148 1 0 51149 1 0 51150 1 0 52151 1 0 52152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 68184 1 0 69185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 71190 1 0 71191 1 0 M END