HMDB0046973 RDKit 3D TG(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:5(4Z,7Z,10Z,13Z,16Z)) 187186 0 0 0 0 0 0 0 0999 V2000 -5.5174 -9.3881 3.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3326 -8.9778 4.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6348 -9.1132 5.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6221 -8.1253 6.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2995 -6.7119 6.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4381 -5.8281 6.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1115 -5.0548 5.8769 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 -4.9676 4.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4214 -3.5658 4.1791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2852 -3.1352 3.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1690 -4.0703 3.4510 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1149 -3.6935 4.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9391 -3.2515 4.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4364 -3.0472 2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8155 -3.8736 2.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9754 -3.3038 2.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1548 -1.8790 2.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -1.4256 1.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3053 -0.6851 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9316 -0.2406 0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5887 1.1748 0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1511 2.1485 -0.5612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 2.0316 -1.2762 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4055 3.3613 -0.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7688 4.4460 -1.3802 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5916 5.7274 -0.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2919 5.7206 0.5473 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9425 4.9548 1.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0558 4.2416 1.6377 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8049 4.9752 2.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8013 3.8677 2.7619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 3.7463 3.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0521 3.9644 3.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4257 4.3708 2.2755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2592 5.5722 2.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 5.7447 1.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2655 4.8693 1.0480 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7646 3.5789 0.7040 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3977 3.1432 -0.4969 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5039 4.0893 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3499 3.5493 -2.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9036 3.4587 -3.9801 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6195 3.8500 -4.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6813 2.9434 -5.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7761 1.6682 -5.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 0.7788 -4.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4649 0.2082 -6.1969 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4918 -0.5227 -7.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8934 -1.6925 -6.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9176 -2.3955 -7.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0241 4.3050 -2.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4010 4.2047 -2.5018 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1476 4.0525 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5201 4.0314 -4.7901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6140 3.9159 -3.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3200 5.0569 -3.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8222 4.9594 -3.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5463 6.0407 -2.4842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7641 6.1748 -1.0715 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 5.9456 -0.0698 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4974 4.4579 0.2213 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3887 4.1939 1.2024 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3572 2.7435 1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1403 1.8513 0.4018 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1817 0.3871 0.8547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9738 -0.5136 -0.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6658 -0.3879 -1.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 -1.3846 -2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7504 -2.8132 -1.7245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6313 -3.6553 -3.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7417 -5.1218 -2.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7202 -5.6354 -1.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3014 -5.5814 -2.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1393 -6.3682 -3.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4627 -6.0764 -4.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9878 -10.3157 3.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2236 -9.5667 2.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 -8.5886 3.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8881 -8.0404 4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5429 -9.7574 4.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8990 -10.1091 6.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8718 -8.3444 7.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8492 -6.6357 5.3781 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4748 -6.3484 7.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7467 -5.8376 7.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9536 -4.4297 6.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0903 -5.7461 4.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7583 -5.2346 3.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2367 -2.8369 4.3917 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1044 -2.0794 3.6230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 -3.8350 2.4055 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3613 -5.1211 3.6153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 -3.8185 5.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2236 -2.9990 4.9866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0898 -3.4698 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3200 -1.9898 2.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7665 -4.9616 2.8375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8668 -3.9613 2.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3295 -1.2131 2.6175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9224 -1.6003 3.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9483 -1.7212 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9404 -0.3737 -0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5138 -0.5386 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 -0.8528 0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7843 1.5981 1.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5356 1.2578 0.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8332 4.3150 -1.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0312 6.5512 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4896 5.9762 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2802 5.9563 3.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 4.7334 3.7508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 2.8880 2.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1596 3.6724 1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4327 3.4690 4.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 3.8781 4.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7754 3.5208 1.7982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4858 4.7876 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7868 6.3975 2.9970 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8827 6.7634 2.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6215 5.4771 0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2918 4.7240 1.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7093 2.7637 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0225 2.1322 -0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4158 4.1624 -2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7691 5.0857 -1.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3698 3.2127 -2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6537 3.0626 -4.7052 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1014 4.5667 -3.7455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8599 4.6016 -5.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6965 3.4193 -5.4553 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8804 1.1775 -5.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6423 1.1276 -4.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4077 -0.1178 -4.3415 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9412 1.0296 -6.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3100 -0.4842 -5.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6968 0.2001 -7.3580 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 -0.8740 -8.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6484 -2.4147 -5.9728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2636 -1.3211 -5.4657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3094 -1.6610 -7.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2608 -3.1096 -6.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5412 -3.0169 -7.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3492 3.3539 -3.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2806 5.1509 -3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8683 2.9339 -3.2488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 3.8360 -4.7754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9961 5.1114 -2.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0337 6.0158 -3.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0666 5.0320 -4.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2214 3.9676 -2.8612 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1380 7.0390 -2.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6027 6.0338 -2.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6523 5.4838 -0.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1983 7.2131 -0.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0071 6.3795 0.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7532 6.4708 -0.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3604 3.8933 -0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4874 4.0847 0.6733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 4.4626 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4228 4.8692 2.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3281 2.4391 2.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5521 2.5515 2.3559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1854 2.0032 -0.1061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 1.9564 -0.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1658 0.1634 1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 0.2799 1.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0533 -1.5859 0.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7893 -0.4008 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4909 0.6430 -1.3813 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 -0.6129 -0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6225 -1.2378 -2.6445 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4537 -1.1481 -2.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9446 -3.0580 -1.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 -3.0837 -1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5381 -3.3898 -3.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7600 -3.3535 -3.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8649 -5.6597 -3.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7404 -5.2229 -2.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 -6.7262 -1.5548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8879 -5.1797 -0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0883 -4.5390 -2.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2963 -5.9659 -1.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2580 -6.1787 -3.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0685 -7.4769 -3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2613 -6.8130 -4.8959 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3405 -6.2873 -5.4043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7582 -5.0445 -4.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 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 4 82 1 0 5 83 1 0 5 84 1 0 6 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 6 26108 1 0 26109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 33115 1 0 34116 1 0 34117 1 0 35118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 45131 1 0 46132 1 0 46133 1 0 47134 1 0 47135 1 0 48136 1 0 48137 1 0 49138 1 0 49139 1 0 50140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 62159 1 0 62160 1 0 63161 1 0 63162 1 0 64163 1 0 64164 1 0 65165 1 0 65166 1 0 66167 1 0 66168 1 0 67169 1 0 67170 1 0 68171 1 0 68172 1 0 69173 1 0 69174 1 0 70175 1 0 70176 1 0 71177 1 0 71178 1 0 72179 1 0 72180 1 0 73181 1 0 73182 1 0 74183 1 0 74184 1 0 75185 1 0 75186 1 0 75187 1 0 M END