HMDB0052614 RDKit 3D TG(18:2(9Z,12Z)/24:1(15Z)/18:3(9Z,12Z,15Z)) 179178 0 0 0 0 0 0 0 0999 V2000 5.4192 2.0513 -1.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 3.3641 -2.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 3.2613 -3.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8042 3.3826 -4.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4308 3.6263 -4.1062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9201 4.8991 -4.7303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4878 5.9203 -4.0684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3682 6.1206 -2.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2215 7.2813 -2.1955 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1424 7.2350 -1.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 6.0528 -0.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 6.3367 1.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0796 6.8473 1.4650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 7.0714 2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8394 7.6907 3.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7918 7.9247 4.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8228 6.6449 5.7116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4433 5.8725 5.4449 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3384 6.4761 4.7449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7274 4.6132 5.8723 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9431 3.9558 5.6028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0534 3.7318 4.0872 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4492 3.2890 3.7301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5508 3.2594 2.2929 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7496 2.8625 1.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6639 2.5166 2.5339 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0048 2.8375 0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9182 2.6279 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1889 1.3480 -0.7370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4888 0.9743 0.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 -0.3273 0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 -0.1597 -0.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 -1.4667 -0.8177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1250 -1.3675 -1.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2121 -2.2219 -2.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3331 -3.4516 -3.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2164 -4.6457 -3.0806 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2185 -5.5292 -4.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3012 -5.3637 -5.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7776 -5.1300 -6.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6135 -6.1168 -7.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 -6.4341 -6.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8319 -5.1734 -6.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 2.8434 3.7048 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0041 2.7267 2.9835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4701 3.7481 2.4424 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 1.4207 2.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7401 1.0226 3.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3942 1.1012 5.2107 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4639 0.4419 6.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3452 -1.0515 5.8772 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.8922 6.6200 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9298 -3.3306 6.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8417 -3.7502 4.9672 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3888 -5.1994 4.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1822 -5.8072 3.6378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1244 -5.0884 2.8062 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9281 -5.7988 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1138 -5.1418 0.6050 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4346 -5.0511 1.2176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5475 -5.5929 0.7991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7049 -6.4158 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6973 -5.8827 -1.4114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2469 -4.5655 -1.9135 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2280 -3.9765 -2.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6685 -2.6752 -3.3854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3732 -1.8862 -4.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7465 -1.4365 -4.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7319 -2.5431 -3.9414 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9616 1.1714 -2.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5373 2.0336 -1.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2262 2.0657 -0.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8923 3.5178 -1.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5601 4.1527 -2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8638 3.0832 -4.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9292 3.2889 -5.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2487 3.6001 -3.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8152 2.7689 -4.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9406 4.9114 -5.8537 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1560 6.7811 -4.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2853 6.3758 -2.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6885 5.2352 -2.0946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9939 8.2264 -2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 8.1868 -1.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8942 5.1663 -0.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6061 5.8312 -0.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 7.1933 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7810 5.4951 1.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2951 6.0595 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7626 7.7643 0.9739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0043 7.7362 3.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3072 6.0703 3.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0224 7.1678 2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8206 8.7277 2.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5791 8.6413 5.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 8.4197 5.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 6.0272 5.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7947 6.9165 6.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7678 4.5967 5.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9583 2.9425 6.0985 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 4.7612 3.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1941 4.0039 4.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5740 2.2628 4.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8989 2.1624 0.0652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4490 3.8715 0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 3.4574 -0.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 2.9000 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4129 1.4357 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8361 0.5009 -1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2003 0.7675 1.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8009 1.7864 0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 -1.0726 0.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 -0.6476 1.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 0.7240 -0.6407 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1954 -0.1019 -1.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6405 -1.4922 0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5849 -2.2522 -0.8580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -0.5176 -1.8981 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9652 -2.0883 -3.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2986 -3.5563 -2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 -3.2581 -3.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8987 -4.7469 -2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9245 -6.3517 -3.9212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6184 -4.7698 -4.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2133 -6.4294 -5.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1661 -4.9855 -7.2017 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2680 -4.1067 -6.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0130 -7.0818 -7.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 -5.7820 -8.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5239 -7.0848 -7.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0052 -6.9276 -5.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -4.3293 -6.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1251 -4.8831 -7.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7317 -5.3566 -6.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1482 0.6076 2.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1004 1.3732 1.7934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0233 -0.0154 3.5024 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6695 1.6166 3.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4558 0.5850 5.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3910 2.1901 5.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1674 0.6667 7.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4553 0.8287 5.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3844 -1.2627 4.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 -1.3558 6.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 -1.7211 6.1818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 -1.6635 7.7012 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8993 -3.5037 6.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 -3.9945 6.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -3.1823 4.4250 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 -3.6213 4.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -5.7709 5.4661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -5.3441 5.6832 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8126 -6.8608 3.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 -5.9008 3.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 -5.1129 3.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4228 -4.0288 2.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8903 -5.7660 0.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6954 -6.8720 1.6543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1206 -5.7124 -0.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2764 -4.1213 0.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4967 -4.4498 2.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4602 -5.4101 1.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7430 -6.5054 -0.9325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 -7.4496 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6921 -5.8054 -0.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7886 -6.6250 -2.2264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2958 -4.7489 -2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0554 -3.8786 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4208 -4.6914 -3.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1521 -3.8114 -2.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6069 -2.8444 -3.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4605 -2.0019 -2.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3329 -2.3735 -5.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7505 -0.9455 -4.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7165 -0.7753 -3.1774 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1278 -0.7128 -4.8935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3826 -3.5196 -4.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0654 -2.5882 -2.8807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6570 -2.3300 -4.5818 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 0 35 36 1 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 49 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 2 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 4 76 1 0 5 77 1 0 5 78 1 0 6 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 21 99 1 0 21100 1 0 22101 1 6 23102 1 0 23103 1 0 27104 1 0 27105 1 0 28106 1 0 28107 1 0 29108 1 0 29109 1 0 30110 1 0 30111 1 0 31112 1 0 31113 1 0 32114 1 0 32115 1 0 33116 1 0 33117 1 0 34118 1 0 35119 1 0 36120 1 0 36121 1 0 37122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 42130 1 0 42131 1 0 43132 1 0 43133 1 0 43134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 61162 1 0 62163 1 0 62164 1 0 63165 1 0 63166 1 0 64167 1 0 64168 1 0 65169 1 0 65170 1 0 66171 1 0 66172 1 0 67173 1 0 67174 1 0 68175 1 0 68176 1 0 69177 1 0 69178 1 0 69179 1 0 M END