HMDB0054099 RDKit 3D TG(20:4(5Z,8Z,11Z,14Z)/14:1(9Z)/O-18:0) 158157 0 0 0 0 0 0 0 0999 V2000 5.4330 -0.8485 -4.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1906 -2.1865 -3.8818 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7077 -1.9591 -2.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4698 -3.2797 -1.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4521 -4.0355 -2.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 -4.3765 -1.9932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9133 -4.0589 -0.6187 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6517 -3.2292 -0.7375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 -2.7552 0.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3093 -3.7966 1.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8353 -3.2183 2.7826 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1070 -2.4060 2.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5698 -1.9048 3.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7987 -1.1492 3.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2664 -0.8869 5.0595 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5836 -0.6513 2.8368 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7912 0.0459 3.1559 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.8800 -0.9534 2.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 -2.1910 3.2221 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5000 -3.1380 2.7804 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0064 -4.4987 3.1762 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9132 -5.6003 2.6533 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0172 -5.5746 1.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6635 -5.7472 0.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7059 -5.7423 -0.9841 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2550 -4.4557 -1.5050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4950 -3.2291 -1.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0871 -3.1723 -1.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4792 -1.8957 -1.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1061 -1.5853 -1.8089 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6186 -0.2975 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2911 0.1676 -1.6117 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 1.4178 -0.8857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6829 1.1257 0.5943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2206 2.4073 1.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 2.1954 2.7759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0064 1.1364 2.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9854 1.3294 2.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0436 2.3445 2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 3.5810 1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3005 3.6610 1.2863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3410 4.7322 2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 4.9192 0.6830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6956 6.1042 0.6839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6502 6.0062 1.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3481 5.9246 1.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2150 5.9238 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1930 7.0188 -0.0639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4634 6.8443 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 5.4875 -0.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1804 5.2288 0.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3329 4.8913 -0.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5476 4.7488 -1.6301 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9339 3.3691 -1.9905 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0417 3.0103 -2.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0525 3.9686 -2.9892 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4020 3.8465 -2.3720 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2252 2.6645 -2.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7720 1.3057 -2.2985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3937 1.0534 -0.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7013 -0.0933 -4.2519 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -0.5073 -4.4049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2552 -1.0032 -5.6694 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1465 -2.7447 -3.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4662 -2.7297 -4.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7072 -1.4471 -2.5839 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4343 -1.3300 -1.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3222 -3.1577 -0.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4672 -3.8302 -1.9209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -4.3178 -3.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5909 -4.9493 -2.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 -3.5213 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7079 -5.0399 -0.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9418 -2.3516 -1.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -3.7820 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8266 -2.1582 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7710 -2.0443 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6146 -4.3711 1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1016 -4.4932 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1418 -4.0568 3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0866 -2.5561 3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -3.0628 1.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8190 -1.5044 1.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 -1.2490 4.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5764 -2.7521 4.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9036 0.1025 4.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8657 -0.5705 2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7513 -1.0595 1.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4419 -2.9008 3.3859 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7041 -3.0589 1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9528 -4.6442 2.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0745 -4.5550 4.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4318 -6.5527 2.9447 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8802 -5.4833 3.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6650 -6.4494 0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5263 -4.6553 0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2922 -6.7724 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9413 -5.0267 0.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6882 -5.9614 -1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 -6.5587 -1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2607 -4.5507 -2.6277 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3285 -4.3846 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0182 -2.3605 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3938 -3.1389 -0.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2123 -3.2103 -2.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4539 -4.0045 -1.4675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -1.0645 -1.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3831 -1.9948 -0.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4233 -2.3881 -1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0640 -1.5005 -2.8952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6584 -0.3899 -0.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3667 0.4728 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5246 -0.5821 -1.4811 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3548 0.4072 -2.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1445 1.7117 -1.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 2.2515 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0872 0.3205 0.7668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6507 0.8848 1.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7235 2.7622 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 3.1740 1.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0093 1.8891 3.2489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2535 3.1659 3.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3700 1.0822 4.0371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6236 0.1473 2.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8778 1.3766 2.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0039 1.7660 2.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0792 1.0962 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6711 4.7895 2.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0006 5.6467 2.1068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1038 4.0017 0.3643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4123 5.1080 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4046 6.9840 0.9501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4239 6.3247 -0.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 6.0027 2.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3499 5.8584 2.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6428 6.1786 -0.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5090 4.9332 -0.1748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8388 8.0679 0.0304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 7.7463 -0.5379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0838 5.2314 -1.5773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2347 4.7677 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 5.3376 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1788 4.7049 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7431 5.0449 -2.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3736 5.4937 -1.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2101 2.5931 -1.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1603 1.9429 -2.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7215 5.0253 -3.1057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2623 3.7162 -4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9970 4.7399 -2.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3718 4.1279 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2849 2.7822 -2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4286 2.6604 -3.7659 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6929 0.6143 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0439 0.9190 -2.9858 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0756 -0.0256 -0.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 1.6388 -0.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2790 1.1950 -0.2199 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 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 1 0 23 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 1 0 30 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 17 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 9 77 1 0 10 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 12 83 1 0 13 84 1 0 13 85 1 0 17 86 1 1 18 87 1 0 18 88 1 0 20 89 1 0 20 90 1 0 21 91 1 0 21 92 1 0 22 93 1 0 22 94 1 0 23 95 1 0 23 96 1 0 24 97 1 0 24 98 1 0 25 99 1 0 25100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 33116 1 0 34117 1 0 34118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 37123 1 0 37124 1 0 37125 1 0 38126 1 0 38127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 45134 1 0 46135 1 0 47136 1 0 47137 1 0 48138 1 0 49139 1 0 50140 1 0 50141 1 0 51142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 55147 1 0 56148 1 0 56149 1 0 57150 1 0 57151 1 0 58152 1 0 58153 1 0 59154 1 0 59155 1 0 60156 1 0 60157 1 0 60158 1 0 M END