HMDB0051073 RDKit 3D TG(20:3(5Z,8Z,11Z)/20:1(11Z)/20:3n6) 177176 0 0 0 0 0 0 0 0999 V2000 -0.6930 -2.8872 4.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -2.5831 6.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3390 -2.8620 6.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0320 -1.9997 5.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -2.1728 5.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8260 -3.5835 4.9357 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5089 -3.9543 3.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1082 -3.0657 2.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4252 -3.4752 1.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0702 -3.9512 0.5528 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5228 -4.1698 0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0500 -3.3806 -0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9709 -2.4508 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6738 -2.0003 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5854 -0.5589 0.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2881 0.0660 1.1636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 0.0808 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 0.7827 -1.1472 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7691 0.8857 -2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.4420 -2.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9868 -1.2307 -3.2559 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8902 -0.7316 -2.4439 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -1.9379 -2.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8008 -1.8815 -2.3654 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7935 -1.6356 -0.8949 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6437 -1.4226 -0.2056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5180 -2.1086 -0.0993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -3.1474 -0.7823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6310 -1.6921 0.7887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9598 -2.2545 0.4939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5525 -1.7374 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8381 -2.3302 -1.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9477 -1.6685 -1.1705 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0307 -0.2163 -0.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5834 0.5381 -2.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9927 1.5221 -2.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6770 1.9931 -2.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7868 3.4042 -1.7942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4715 3.9196 -0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9348 3.0888 0.4573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8303 3.1294 1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 2.2320 2.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8964 2.0010 4.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1165 3.0696 5.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0358 4.1833 4.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1465 5.1798 5.8454 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0812 6.2990 5.4518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1638 -3.0552 -2.7492 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2689 -3.0487 -3.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1348 -1.9711 -4.4167 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4428 -4.2579 -4.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5559 -4.2468 -5.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7720 -3.4869 -4.9019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8148 -2.0134 -4.8886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5278 -1.3791 -6.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 0.1150 -6.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4419 0.5965 -5.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3513 2.1165 -5.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0826 2.3094 -4.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2279 3.7015 -4.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3269 4.1672 -2.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1460 3.3808 -1.5478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4483 3.4361 -0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4292 2.6871 0.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 3.2041 1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 4.6504 1.8283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4057 5.1953 2.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1367 6.6477 3.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1752 7.1549 4.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -3.4419 4.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6523 -3.4738 4.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -1.9148 4.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6624 -3.2997 6.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3353 -1.5363 6.3686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6450 -2.7049 7.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4555 -3.9542 5.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 -0.9520 5.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7420 -2.4024 4.1770 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9757 -1.4530 4.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8501 -1.8819 6.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 -4.3617 5.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6768 -5.0331 3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1823 -3.2883 2.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8972 -2.0060 2.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3389 -3.3769 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4887 -4.2258 -0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6332 -5.2552 0.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1137 -4.0037 1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 -3.6322 -1.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 -1.9700 -1.6182 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7774 -2.2866 0.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3639 -2.5538 1.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2203 -0.4163 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1082 0.0790 0.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8494 -0.3766 2.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4887 1.1284 1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8533 -0.8959 -0.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4137 0.7540 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0596 1.8380 -0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7380 0.3262 -1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2301 1.4354 -3.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9079 1.5427 -1.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 -2.7713 -2.3047 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3103 -2.0121 -3.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4098 -1.0284 -2.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5605 -0.8395 -0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -2.5816 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -0.5741 0.6775 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3387 -1.9111 1.8405 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9236 -3.3622 0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6634 -1.9702 1.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4213 -0.6713 -0.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8271 -2.1769 -1.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8612 -3.4197 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9269 -2.1605 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1563 0.1915 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8344 -0.1547 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6098 0.2091 -2.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4744 2.0674 -3.4523 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0901 1.4374 -1.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0948 2.0735 -3.2267 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1816 4.1156 -2.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6039 5.0024 -0.4289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9560 3.4905 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8806 2.0467 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7483 4.2213 1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8699 2.9116 1.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9861 1.2351 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2021 2.6363 2.9951 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2681 1.1958 4.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8897 1.4482 3.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3609 2.6538 6.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0914 3.5523 5.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7437 4.7599 3.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0462 3.7460 4.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6242 4.6557 6.6911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1535 5.5564 6.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7904 6.5377 6.2705 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7043 6.0090 4.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4865 7.2159 5.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -4.8145 -3.2876 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3200 -5.0268 -4.6309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8936 -5.3499 -5.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1867 -4.1081 -6.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1683 -3.8671 -3.8936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 -3.8198 -5.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3060 -1.5629 -4.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -1.7042 -4.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4875 -1.6706 -6.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2593 -1.7053 -6.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5590 0.4217 -5.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4101 0.5772 -7.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4769 0.3240 -5.7933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4525 0.2332 -4.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2006 2.5245 -4.5874 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2707 2.6090 -6.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1555 1.6246 -3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 1.8945 -4.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3779 4.3652 -4.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5645 5.2507 -2.7142 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5821 3.9687 -0.9054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2871 2.4032 -1.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2552 3.0006 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7422 4.4804 -0.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4000 2.8015 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2732 1.6097 0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 3.0817 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 2.6379 2.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6741 5.2931 0.9353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 4.7572 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4619 4.6170 3.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 5.1365 2.3080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2047 7.2976 2.2325 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8439 6.7406 3.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2041 6.4529 4.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1896 7.1615 3.6634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9021 8.1607 4.4871 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 1 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 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 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 24 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 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 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 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 23103 1 0 23104 1 0 24105 1 6 25106 1 0 25107 1 0 29108 1 0 29109 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 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 45135 1 0 46136 1 0 46137 1 0 47138 1 0 47139 1 0 47140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 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