HMDB0052612 RDKit 3D TG(18:2(9Z,12Z)/24:1(15Z)/22:4(7Z,10Z,13Z,16Z)) 189188 0 0 0 0 0 0 0 0999 V2000 -1.4923 5.6826 -0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2659 5.0319 0.3821 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3176 5.7181 1.2972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0600 5.8788 0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9931 6.5815 1.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3450 6.7126 1.1743 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4175 6.2160 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5494 5.4485 2.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 6.0231 3.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4001 6.4297 5.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2606 6.4864 5.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9259 6.1179 5.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2225 5.1313 5.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6495 4.2252 7.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7031 2.7856 6.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4547 2.0690 5.7606 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0343 2.4700 4.4446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0401 1.8641 3.4307 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6159 2.2173 2.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5156 1.5897 1.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9488 1.9773 1.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7220 1.2490 0.0401 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8491 1.7229 -0.2704 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2469 0.0958 -0.5841 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0686 -0.4720 -1.5508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 -1.7251 -2.1955 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6058 -1.7313 -3.2379 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 -1.4059 -3.0373 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6810 -0.2063 -2.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 0.8201 -2.7346 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -0.1324 -2.5821 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 -0.1194 -1.1322 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6904 -0.0966 -1.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0572 -0.1503 0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5276 -0.1278 0.6296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1332 -0.3290 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8152 0.5105 3.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4284 0.4404 3.6015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1151 -0.0143 4.7933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0200 -0.5217 5.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9120 0.2590 7.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9054 0.8922 7.6541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2788 0.9139 7.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2749 0.3068 8.0491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6548 0.3832 7.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 -0.3516 6.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1997 -0.2721 5.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4356 -2.6917 -1.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 -3.6965 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3709 -3.6437 -1.7791 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 -4.7712 0.0481 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1367 -5.3467 0.5407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1859 -4.4498 1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0260 -5.3592 1.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 -4.6378 2.4798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 -3.4919 1.6850 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7836 -3.8425 0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4409 -4.7451 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8404 -4.9512 -1.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0876 -5.7068 -1.2749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2038 -5.7669 -2.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4648 -6.3752 -3.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3118 -6.3466 -4.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5618 -6.8156 -5.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2698 -6.0723 -6.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 -4.7273 -6.6391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9050 -3.7267 -6.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5414 -2.3006 -6.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2540 -1.8407 -5.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 -0.4112 -6.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8151 -0.2672 -7.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4952 1.1786 -8.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5975 2.0967 -7.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5499 6.0753 -1.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8317 4.8859 -1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 6.4223 -0.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9804 3.9583 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2864 4.9379 0.8635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7709 6.7053 1.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2992 5.1189 2.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 6.5513 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5588 4.9577 0.4710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9203 5.9485 2.6515 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5943 7.5876 1.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3915 7.2972 0.2021 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3595 6.3896 1.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0191 4.4531 2.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5751 5.2613 3.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5908 6.1031 3.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3523 6.8387 5.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 6.0685 6.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1749 7.6269 6.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3738 6.7241 4.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 5.0031 5.5982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6634 4.5590 7.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9900 4.3945 7.9598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 2.2169 7.7404 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5797 0.9436 5.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0573 1.9566 4.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8785 3.5122 4.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0565 0.7651 3.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0581 2.2415 3.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 1.9363 1.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6352 3.3249 1.8508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4736 0.4631 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1541 1.8640 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4227 1.9485 2.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 3.0575 0.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0852 -0.6551 -1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2762 0.3255 -2.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6018 -2.0555 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0538 -1.1398 -4.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 -2.7829 -3.7036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6414 -0.9116 -3.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8880 0.8458 -3.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3325 -0.8334 -0.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1299 0.9135 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1205 0.8117 -1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1295 -0.9801 -1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7149 0.9069 0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5012 -0.8665 1.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9558 0.8491 0.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9709 -0.8902 -0.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2684 -0.2894 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0270 -1.4088 2.3093 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9770 1.6103 2.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5137 0.2608 3.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6117 0.8029 2.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 0.0014 4.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5943 -1.5590 6.1519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0190 -0.6629 5.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 0.2762 7.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7512 1.4565 8.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5526 2.0242 7.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3933 0.5823 6.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0736 -0.7692 8.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2205 0.8376 9.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9452 1.4564 7.3579 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3427 -0.1462 8.1764 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5181 -1.4059 6.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1469 0.1187 5.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8786 -0.7503 6.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4551 0.7734 5.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2040 -0.8888 4.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9480 -5.6349 -0.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1221 -4.5292 0.8920 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5647 -5.7284 -0.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2822 -6.2827 1.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8612 -3.5645 0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7168 -4.1005 2.2037 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4673 -6.1099 2.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6466 -5.9037 0.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4300 -4.2263 3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1996 -5.3583 2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1301 -2.6967 1.6186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5595 -3.0675 2.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4791 -4.2862 -0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4155 -2.9065 -0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1690 -5.6951 0.9236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2779 -4.3046 1.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0449 -5.3778 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9774 -3.9329 -1.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9870 -6.7378 -0.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9432 -5.1459 -0.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9488 -4.8063 -3.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3684 -6.4613 -3.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3077 -5.7588 -2.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 -7.4245 -3.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9515 -5.3624 -5.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4622 -7.0799 -5.0502 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8867 -7.8387 -5.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2028 -6.4780 -6.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8626 -4.6130 -7.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9029 -4.3592 -6.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9810 -3.8290 -5.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8800 -3.9595 -6.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3535 -1.6739 -6.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6525 -2.1607 -7.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3863 -2.4350 -6.3149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2799 -1.8547 -4.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9603 -0.1450 -5.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7069 0.2989 -5.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9532 -0.8733 -8.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7418 -0.5325 -8.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3394 1.2453 -9.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5664 1.4620 -7.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5703 1.5809 -7.5767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6096 2.9863 -8.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3713 2.4901 -6.6246 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 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 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 26 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 2 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 18102 1 0 19103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 25109 1 0 25110 1 0 26111 1 6 27112 1 0 27113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 39129 1 0 40130 1 0 40131 1 0 41132 1 0 42133 1 0 43134 1 0 43135 1 0 44136 1 0 44137 1 0 45138 1 0 45139 1 0 46140 1 0 46141 1 0 47142 1 0 47143 1 0 47144 1 0 51145 1 0 51146 1 0 52147 1 0 52148 1 0 53149 1 0 53150 1 0 54151 1 0 54152 1 0 55153 1 0 55154 1 0 56155 1 0 56156 1 0 57157 1 0 57158 1 0 58159 1 0 58160 1 0 59161 1 0 59162 1 0 60163 1 0 60164 1 0 61165 1 0 61166 1 0 62167 1 0 62168 1 0 63169 1 0 63170 1 0 64171 1 0 65172 1 0 66173 1 0 66174 1 0 67175 1 0 67176 1 0 68177 1 0 68178 1 0 69179 1 0 69180 1 0 70181 1 0 70182 1 0 71183 1 0 71184 1 0 72185 1 0 72186 1 0 73187 1 0 73188 1 0 73189 1 0 M END