HMDB0052918 RDKit 3D TG(18:3(6Z,9Z,12Z)/22:0/20:4(5Z,8Z,11Z,14Z)) 177176 0 0 0 0 0 0 0 0999 V2000 -2.5715 6.9842 -2.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2215 6.4036 -3.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4405 6.6466 -4.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0636 6.0728 -4.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0580 4.5537 -4.6528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3046 4.0178 -4.6776 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8704 3.3780 -3.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1605 3.1347 -2.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0331 1.7010 -2.0960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5420 1.1377 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 1.9375 -0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6748 1.4204 0.0436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2925 0.9808 1.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6522 0.9547 2.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5006 1.7428 3.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0327 1.1687 4.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8519 -0.2486 4.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2258 -0.2902 6.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -1.6913 6.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9288 -2.3447 5.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3091 -1.6676 4.9307 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6114 -3.6654 5.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -4.4802 5.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0084 -4.8395 3.8182 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3577 -3.7368 2.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 -4.4248 1.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 -3.7087 0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0115 -2.4717 0.5806 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3858 -4.3791 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6148 -3.4895 -1.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7343 -2.4895 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8358 -1.6679 -3.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8733 -0.6541 -3.0511 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8624 -0.6620 -3.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1790 -1.5811 -4.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4800 -2.7512 -5.2723 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8944 -3.0537 -6.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7703 -2.3071 -7.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3102 -1.0266 -7.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5386 0.0204 -8.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 0.0616 -8.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 1.0072 -7.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9755 1.0086 -7.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -0.3819 -6.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7759 -0.9618 -5.5955 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0458 -5.6429 3.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1370 -6.9067 2.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2820 -7.3993 2.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 -7.7208 2.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3620 -7.3050 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 -5.8485 0.8278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 -5.3580 -0.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 -3.8557 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3952 -3.4577 0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5343 -1.9276 0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5503 -1.6138 1.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7034 -0.1223 1.8389 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2107 0.5410 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3322 2.0365 0.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9736 2.6907 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1271 4.1772 1.1878 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9245 4.9716 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 4.8735 2.4986 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4543 5.1883 3.8568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4106 4.3483 4.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 2.9663 4.9205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9179 2.2310 5.6964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4652 0.8881 6.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 -0.0243 5.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1743 7.8053 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3911 6.2443 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5817 7.4616 -2.5802 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2435 6.8304 -3.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3866 5.3028 -3.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3320 7.7542 -4.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 6.2153 -5.6890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4091 6.5465 -4.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6060 6.3018 -5.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7066 4.2540 -3.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5611 4.1672 -5.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9046 4.1576 -5.6032 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8841 3.0205 -3.7966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7199 3.6479 -1.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8269 3.6328 -2.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 1.0621 -2.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4261 0.0841 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2111 2.9953 -0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 1.6267 0.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 1.4128 -0.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3365 0.6091 0.9948 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7263 1.5964 2.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3226 -0.0050 2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6794 2.7971 3.2364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6332 1.7621 5.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -0.6760 4.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2713 -0.8679 4.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8056 0.2916 6.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 0.2757 6.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7002 -1.6713 7.7051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9398 -2.2310 6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2916 -3.9725 5.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 -5.4555 5.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9156 -5.5167 3.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3190 -3.2765 3.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6432 -2.9598 2.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3656 -4.9045 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6789 -5.2129 -0.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7044 -2.9034 -2.2299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8329 -4.1269 -2.8313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6639 -3.0849 -1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6312 -1.8512 -0.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8605 -1.0272 -2.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6050 -2.2098 -3.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7993 0.1723 -2.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5850 0.1963 -3.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5145 -0.9849 -5.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2638 -1.9594 -4.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4174 -3.5798 -4.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 -4.0806 -6.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 -2.9859 -8.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 -2.3916 -7.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3868 -0.8557 -7.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0616 0.9822 -8.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8095 0.5667 -9.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5526 -0.8852 -8.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 2.0351 -7.2127 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7451 0.6860 -6.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5468 1.7045 -6.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6965 1.2865 -8.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 -1.0695 -7.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7121 -0.2403 -6.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4597 -1.8429 -5.7826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 -1.4176 -5.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2696 -0.2599 -4.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7395 -8.7949 2.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 -7.5637 2.9161 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5471 -7.5324 0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2542 -7.8939 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8988 -5.1999 1.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6039 -5.6841 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -5.8251 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3617 -5.5446 -1.3201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -3.3388 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7563 -3.5546 -1.4858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0310 -3.7644 1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3731 -3.8959 0.2914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5674 -1.4704 0.8524 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -1.5424 -0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5532 -2.0307 1.3428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2375 -2.0599 2.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7484 0.3032 2.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4289 0.0528 2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 0.3930 -0.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1619 0.1008 0.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7836 2.4625 -0.1379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0352 2.2834 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3626 2.5117 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 2.2173 1.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6080 4.5132 0.2118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9224 4.4441 1.9369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2693 6.0735 1.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2820 4.9109 0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 5.6355 2.2741 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3863 3.9061 2.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5778 5.4225 4.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 6.2293 3.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5481 4.8290 5.6111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4195 4.2401 4.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9800 3.0565 5.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5982 2.3938 4.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7845 2.0998 4.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3102 2.8414 6.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2720 0.4178 6.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5523 1.0522 6.7805 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5040 0.4361 4.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0137 -0.5202 4.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4669 -0.8667 5.4626 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 24 46 1 0 46 47 1 0 47 48 2 0 47 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 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 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 2 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 8 84 1 0 9 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 17 96 1 0 18 97 1 0 18 98 1 0 19 99 1 0 19100 1 0 23101 1 0 23102 1 0 24103 1 1 25104 1 0 25105 1 0 29106 1 0 29107 1 0 30108 1 0 30109 1 0 31110 1 0 31111 1 0 32112 1 0 32113 1 0 33114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 40123 1 0 41124 1 0 41125 1 0 42126 1 0 42127 1 0 43128 1 0 43129 1 0 44130 1 0 44131 1 0 45132 1 0 45133 1 0 45134 1 0 49135 1 0 49136 1 0 50137 1 0 50138 1 0 51139 1 0 51140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 55148 1 0 56149 1 0 56150 1 0 57151 1 0 57152 1 0 58153 1 0 58154 1 0 59155 1 0 59156 1 0 60157 1 0 60158 1 0 61159 1 0 61160 1 0 62161 1 0 62162 1 0 63163 1 0 63164 1 0 64165 1 0 64166 1 0 65167 1 0 65168 1 0 66169 1 0 66170 1 0 67171 1 0 67172 1 0 68173 1 0 68174 1 0 69175 1 0 69176 1 0 69177 1 0 M END