HMDB0047340 RDKit 3D TG(24:0/22:1(13Z)/O-18:0) 202201 0 0 0 0 0 0 0 0999 V2000 -5.0516 -9.1633 2.5852 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9058 -8.1375 1.9086 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3581 -8.5335 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 -7.4150 1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6417 -7.1157 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7570 -8.2925 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2324 -7.9783 -2.5374 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9310 -6.8567 -3.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2422 -6.6672 -4.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6457 -5.5606 -4.9393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5834 -4.3411 -4.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1018 -4.0477 -3.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0387 -2.8022 -2.9756 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7424 -2.9274 -1.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2423 -3.9751 -0.7345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8512 -3.7851 -0.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 -4.8734 0.6989 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9564 -4.5360 1.1117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3575 -5.4889 2.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0649 -5.0108 2.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9445 -4.9849 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -4.4327 1.5690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 -4.9956 2.3965 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7573 -3.3098 0.9777 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9218 -2.6336 1.0937 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7379 -1.1645 1.4489 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1341 -1.0371 2.6513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8394 -1.3830 3.7695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 -1.1982 4.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3234 0.1918 4.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 0.3050 6.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6748 1.6352 6.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1669 1.6585 7.4084 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0571 2.9029 7.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0250 2.9025 6.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 4.1151 6.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9307 4.1456 5.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5925 4.1327 3.9343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9317 5.0980 3.1072 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6074 5.6788 3.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 6.5307 4.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0476 7.2152 4.1876 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1670 8.1369 3.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 9.3636 3.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1182 9.2160 3.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -2.5772 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8145 -1.9128 -1.1795 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 -1.7170 -2.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0811 -2.1358 -3.0644 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0493 -0.9350 -3.3348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6915 -1.4347 -3.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5516 -0.7627 -3.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3258 -0.6433 -5.0624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2535 0.1040 -5.9371 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4367 1.5418 -5.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2800 2.3783 -6.4066 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3872 3.7656 -5.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1963 3.7136 -4.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2495 5.0893 -3.8060 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8831 5.4423 -3.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3742 4.5697 -2.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9789 4.6576 -0.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 4.4915 -0.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0943 3.2125 -0.8491 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 3.3024 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3537 2.0857 -0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4614 1.7480 -2.1261 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 0.5033 -2.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7047 0.6323 -1.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4511 -0.6365 -2.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -0.9575 -3.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2584 -2.2600 -3.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6376 -10.0899 2.6908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7012 -8.7718 3.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1515 -9.3386 1.9646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5359 -7.9809 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8119 -7.1769 2.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7537 -8.6383 2.8650 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4187 -9.4712 1.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9127 -6.4754 1.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1869 -7.6286 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2830 -6.2844 -0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6212 -6.7303 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8254 -8.6499 -1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1755 -9.1317 -0.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1429 -7.7404 -2.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2975 -8.9152 -3.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9714 -7.2366 -3.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0031 -5.9979 -2.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2258 -7.5200 -5.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 -5.5346 -5.9126 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1099 -4.4223 -3.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9801 -3.4641 -4.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7131 -4.9471 -3.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6634 -3.8512 -4.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 -2.4013 -2.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5927 -2.0104 -3.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6131 -1.9428 -1.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8307 -2.9868 -1.8447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9039 -4.0734 0.1436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3022 -4.9621 -1.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7306 -2.8135 0.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 -3.7859 -1.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3552 -5.8157 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0576 -4.9736 1.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 -3.5651 1.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3520 -4.3907 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9306 -5.6241 3.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2169 -6.5104 1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -3.9816 2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 -5.5929 3.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1596 -6.0721 0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5543 -4.5550 0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6219 -3.0731 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7853 -0.7617 1.5563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2950 -0.5785 0.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1426 -2.4441 3.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 -0.7173 3.8446 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3967 -1.4274 5.9074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0430 -1.9029 4.7961 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 0.9113 5.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7627 0.3802 4.0346 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0238 0.2625 7.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6474 -0.5002 6.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4837 2.4090 6.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1185 1.7848 5.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7796 0.7595 7.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5346 1.7324 8.2862 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4816 3.8241 7.5482 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6446 2.7825 8.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5543 2.8169 5.3410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6338 1.9613 6.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4513 5.0478 6.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5489 3.8776 7.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7124 3.3449 5.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5507 5.1026 5.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6395 3.9653 3.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 3.1052 3.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 5.9911 2.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 4.6390 2.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 4.8693 3.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4049 6.2652 2.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 5.8454 5.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 7.2399 4.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2016 7.7673 5.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7900 6.3710 4.1500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2700 8.4622 3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 7.5720 2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3757 10.0074 3.9174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3754 10.0014 2.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 10.0269 2.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5909 9.3719 4.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 8.2837 2.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6197 -2.1212 -0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8139 -3.6109 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 -1.1788 -4.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1618 0.1031 -3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6082 -1.4593 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5971 -2.5527 -3.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 -1.3149 -3.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3739 0.2631 -3.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -1.6889 -5.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7371 -0.2730 -5.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7077 0.2088 -6.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1613 -0.4261 -6.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9731 1.4741 -4.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4413 2.0117 -5.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8904 2.4553 -7.4385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3127 1.9613 -6.3852 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3316 4.0254 -5.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7711 4.4909 -6.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7628 3.0444 -3.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 3.4618 -4.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0474 5.0311 -3.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5112 5.8721 -4.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1817 5.4637 -4.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9084 6.5221 -2.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2708 4.8658 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2706 3.5228 -2.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4181 3.8679 -0.2045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5565 5.6044 -0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0440 5.3478 -0.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4337 4.5828 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6384 2.3786 -0.2341 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0426 2.9094 -1.8850 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9927 4.1735 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5910 3.4946 0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 1.2042 -0.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3964 2.3002 -0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4871 1.6485 -2.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 2.5823 -2.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3267 0.3759 -3.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8184 -0.3905 -1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2347 1.4465 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7282 0.8855 -0.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9125 -1.4724 -1.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4928 -0.5912 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 -0.1732 -4.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4333 -1.1685 -3.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2330 -2.1372 -3.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7015 -3.0800 -3.2743 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3757 -2.4318 -4.8318 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 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 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 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 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 25 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 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 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 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 6 85 1 0 7 86 1 0 7 87 1 0 8 88 1 0 8 89 1 0 9 90 1 0 10 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 13 96 1 0 13 97 1 0 14 98 1 0 14 99 1 0 15100 1 0 15101 1 0 16102 1 0 16103 1 0 17104 1 0 17105 1 0 18106 1 0 18107 1 0 19108 1 0 19109 1 0 20110 1 0 20111 1 0 21112 1 0 21113 1 0 25114 1 1 26115 1 0 26116 1 0 28117 1 0 28118 1 0 29119 1 0 29120 1 0 30121 1 0 30122 1 0 31123 1 0 31124 1 0 32125 1 0 32126 1 0 33127 1 0 33128 1 0 34129 1 0 34130 1 0 35131 1 0 35132 1 0 36133 1 0 36134 1 0 37135 1 0 37136 1 0 38137 1 0 38138 1 0 39139 1 0 39140 1 0 40141 1 0 40142 1 0 41143 1 0 41144 1 0 42145 1 0 42146 1 0 43147 1 0 43148 1 0 44149 1 0 44150 1 0 45151 1 0 45152 1 0 45153 1 0 46154 1 0 46155 1 0 50156 1 0 50157 1 0 51158 1 0 51159 1 0 52160 1 0 52161 1 0 53162 1 0 53163 1 0 54164 1 0 54165 1 0 55166 1 0 55167 1 0 56168 1 0 56169 1 0 57170 1 0 57171 1 0 58172 1 0 58173 1 0 59174 1 0 59175 1 0 60176 1 0 60177 1 0 61178 1 0 61179 1 0 62180 1 0 62181 1 0 63182 1 0 63183 1 0 64184 1 0 64185 1 0 65186 1 0 65187 1 0 66188 1 0 66189 1 0 67190 1 0 67191 1 0 68192 1 0 68193 1 0 69194 1 0 69195 1 0 70196 1 0 70197 1 0 71198 1 0 71199 1 0 72200 1 0 72201 1 0 72202 1 0 M END