HMDB0045625 RDKit 3D TG(20:0/22:0/22:5(4Z,7Z,10Z,13Z,16Z)) 193192 0 0 0 0 0 0 0 0999 V2000 10.1136 -8.7231 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9990 -7.5259 1.2868 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6980 -6.8058 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2841 -6.3363 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9192 -5.3603 1.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7338 -4.1527 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2583 -2.9608 0.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7992 -2.7297 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6535 -2.1296 -0.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0945 -0.9943 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 -0.1221 -0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1454 1.2208 -0.1149 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4037 2.2545 -0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9722 2.0938 -0.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 2.5334 -2.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 3.4104 -2.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0352 4.1661 -1.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2224 5.6194 -1.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 6.3725 -2.4427 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 5.7704 -2.7353 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5557 5.8920 -4.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6724 5.0330 -4.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1673 4.5718 -3.3145 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2043 4.7617 -5.5964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3294 3.8681 -5.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 2.4919 -5.2337 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5861 2.1245 -5.9914 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 0.9875 -5.5122 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5816 0.8878 -4.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4851 1.8547 -3.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2426 -0.3550 -3.8418 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.3843 -2.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8380 -0.1863 -1.3512 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6309 -0.2693 -0.0322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7143 -0.1055 1.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4435 -0.2024 2.4391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4978 0.8432 2.6611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 0.6425 4.0332 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1646 1.7195 4.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8094 1.6635 5.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0454 1.8388 6.8274 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3977 3.1226 7.1263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3099 3.6313 6.2703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1007 2.7193 6.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 3.2516 5.3673 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1726 2.3226 5.3479 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1870 2.9382 4.4136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4243 2.0803 4.2806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0875 0.7077 3.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8382 1.4906 -5.3385 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3299 0.7708 -4.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8494 1.0953 -3.1101 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3216 -0.2957 -4.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7241 0.1959 -4.3030 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7044 -0.9702 -4.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1240 -0.4821 -4.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0543 -1.6786 -4.5465 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4898 -1.1995 -4.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9609 -0.4805 -3.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0383 -1.3308 -2.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5039 -0.4780 -0.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6291 0.5860 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4876 0.1793 0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5949 -0.8634 -0.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4212 -1.1269 0.8033 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6066 -2.2689 0.2298 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4955 -2.5537 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6201 -3.7107 0.7893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5854 -3.8499 1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6499 -4.9875 1.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8704 -4.8527 0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0155 -3.5881 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0335 -3.6606 1.5746 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7311 -9.5894 1.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 -8.9979 0.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3408 -8.4918 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0415 -7.9191 1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0364 -6.8584 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9365 -7.5232 -0.8293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4380 -5.9948 -0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5498 -7.1635 -0.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1942 -5.7571 -1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2818 -5.9136 1.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8524 -5.2677 1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8078 -4.2382 1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9065 -2.0690 0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2053 -3.6830 0.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4441 -2.1875 1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0754 -2.7325 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0674 -0.6818 -2.1077 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 -0.1725 0.1042 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8995 -0.4528 1.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2057 1.3026 0.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8421 3.2587 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 1.0660 -0.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 2.7476 -0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4484 2.0143 -2.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9663 3.6100 -3.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2817 4.0243 -0.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0450 3.7820 -1.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1629 6.1238 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3802 7.4204 -2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 6.4239 -2.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7737 4.7786 -2.3694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3872 5.5600 -4.8617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2477 6.9306 -4.4103 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1416 4.2358 -5.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6517 3.8346 -6.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5450 2.6125 -4.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8565 1.9317 -7.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0904 3.0164 -6.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0992 -0.5371 -4.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 -1.2410 -3.9938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6160 0.3899 -2.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3258 -1.3493 -2.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3379 0.7929 -1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0905 -0.9982 -1.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3315 0.5710 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2209 -1.1994 0.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2571 0.9345 1.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1101 -0.8244 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9161 -1.2225 2.5753 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7201 -0.1198 3.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1137 1.8592 2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3268 0.7007 1.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4640 0.4201 4.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7707 -0.3165 3.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 1.4524 3.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8706 2.7113 3.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3111 0.6328 5.6516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7431 2.3353 5.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2570 1.0096 6.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7536 1.5393 7.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1591 3.9431 7.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9458 3.0085 8.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5488 3.8857 5.2363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9966 4.6414 6.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 1.6674 6.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6596 2.8963 7.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4325 3.2336 4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2454 4.2876 5.6174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5655 2.2358 6.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 1.3480 5.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4932 3.9113 4.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7757 3.1386 3.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1623 2.5381 3.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9093 1.9266 5.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9966 0.3371 3.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8410 -0.0222 4.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 0.7654 2.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1516 -1.0652 -3.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1591 -0.8179 -5.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8869 0.9319 -5.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9200 0.6890 -3.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4412 -1.5073 -5.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4925 -1.6704 -3.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2721 0.2097 -5.2452 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2934 0.0682 -3.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8384 -2.4184 -3.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8275 -2.1105 -5.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6435 -0.6690 -5.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1007 -2.1454 -4.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4183 0.4308 -3.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0199 -0.1511 -3.5968 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1656 -1.9144 -1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8825 -2.0864 -2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5437 -0.0799 -1.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6607 -1.2116 -0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3040 1.2199 -1.3524 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2814 1.3315 0.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8656 1.1021 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9080 -0.1573 1.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1516 -1.8643 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1627 -0.6362 -1.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7705 -0.2291 0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7671 -1.3478 1.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2392 -3.2023 0.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2692 -2.0702 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 -2.6814 2.2148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8283 -1.6454 1.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1476 -4.6648 0.6899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1180 -3.4269 -0.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -4.0133 2.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0363 -2.9010 2.0153 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8875 -4.9507 2.4917 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1369 -5.9629 1.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1377 -5.6950 0.3578 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4783 -4.9128 -0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4063 -3.5716 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 -2.6867 0.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -3.0494 1.2795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3295 -4.6742 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 -3.1888 2.4873 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 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 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 26 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 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 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 0 25108 1 0 26109 1 1 27110 1 0 27111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 34119 1 0 35120 1 0 35121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 39128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 41133 1 0 42134 1 0 42135 1 0 43136 1 0 43137 1 0 44138 1 0 44139 1 0 45140 1 0 45141 1 0 46142 1 0 46143 1 0 47144 1 0 47145 1 0 48146 1 0 48147 1 0 49148 1 0 49149 1 0 49150 1 0 53151 1 0 53152 1 0 54153 1 0 54154 1 0 55155 1 0 55156 1 0 56157 1 0 56158 1 0 57159 1 0 57160 1 0 58161 1 0 58162 1 0 59163 1 0 59164 1 0 60165 1 0 60166 1 0 61167 1 0 61168 1 0 62169 1 0 62170 1 0 63171 1 0 63172 1 0 64173 1 0 64174 1 0 65175 1 0 65176 1 0 66177 1 0 66178 1 0 67179 1 0 67180 1 0 68181 1 0 68182 1 0 69183 1 0 69184 1 0 70185 1 0 70186 1 0 71187 1 0 71188 1 0 72189 1 0 72190 1 0 73191 1 0 73192 1 0 73193 1 0 M END