HMDB0048287 RDKit 3D TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/20:3n6) 151150 0 0 0 0 0 0 0 0999 V2000 1.5129 5.9213 7.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 4.3937 7.0101 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5354 3.9989 6.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 3.3912 5.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0317 3.0392 4.4888 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8814 3.7512 3.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6264 3.0926 2.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4307 1.6460 1.8812 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8743 1.4606 1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 0.8132 1.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1262 0.0864 2.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1763 0.0278 3.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6534 -1.1093 4.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 -2.4613 3.8859 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3194 -3.2444 3.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4127 -3.2966 4.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 -4.2592 4.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1655 -4.1427 2.7916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -5.2073 2.2957 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3346 -3.0179 2.0208 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0585 -3.0612 0.7828 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3962 -2.4413 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -1.1397 1.1582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2943 -0.3434 2.2033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5727 -0.9037 3.1116 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7006 1.0494 2.3629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9155 2.1230 1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8603 2.0107 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1020 3.2474 -0.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9382 3.2525 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2070 4.5364 -2.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 4.6340 -1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7818 4.6187 -1.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 4.5021 -3.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2824 5.6853 -3.8756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5208 5.6443 -4.3132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2081 4.3179 -4.3766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4253 4.4774 -3.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6482 4.2993 -3.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9603 3.9193 -5.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8391 4.9337 -6.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0364 4.3396 -7.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8831 5.1699 -8.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9679 4.4206 -9.6546 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2429 -2.8151 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6011 -1.5733 -0.5177 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 -1.4041 -1.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7611 -2.3599 -2.5099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1005 -0.1638 -1.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 -0.1269 -2.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1847 -0.8623 -2.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1447 -2.3377 -2.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6165 -2.7484 -2.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8447 -4.1900 -2.1651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1437 -4.7773 -0.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5266 -6.1716 -0.8612 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6955 -7.1791 -0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2681 -7.0104 -1.1186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6404 -7.5197 -0.0496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 -8.9597 0.2803 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 -9.5170 0.8241 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5976 6.2636 7.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 6.1967 7.7098 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5875 6.4213 6.1813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 4.0604 6.7996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6793 3.9697 8.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5513 4.2455 6.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 3.1262 4.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0977 1.9217 4.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2373 3.1889 5.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9886 4.8655 3.1789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 3.7257 1.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5513 1.0783 2.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2676 1.2914 1.1498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9438 1.9680 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7756 0.8182 0.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5066 -0.9807 2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0940 0.5132 3.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 0.9833 4.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0746 -0.9644 5.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6680 -2.6326 3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2447 -3.0491 4.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0295 -4.2816 3.2137 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 -2.8517 2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9222 -3.5339 5.4071 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8137 -2.2486 4.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2424 -4.2744 4.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -5.3295 4.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3117 -4.2143 0.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0020 -3.1128 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9023 -2.6793 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7611 1.2420 3.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7876 1.1311 1.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8619 2.1536 2.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3995 3.1047 1.9855 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8944 2.0194 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 1.1340 -0.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0769 3.1389 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6259 4.1200 0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9419 3.3483 -2.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4792 2.3478 -2.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 5.3547 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 4.6998 -3.2417 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9787 4.7427 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0884 4.7019 -1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1403 3.5255 -3.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4711 4.6097 -4.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2346 6.6468 -3.8118 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9857 6.5591 -4.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6229 3.5201 -3.8992 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4139 4.1183 -5.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 4.7582 -2.4557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4694 4.4391 -3.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6747 3.0140 -5.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1467 3.6676 -5.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8367 5.0359 -5.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2869 5.8760 -6.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0238 4.2838 -7.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 3.3093 -7.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9369 5.2760 -7.9286 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4101 6.1392 -8.4911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9690 4.5487 -10.1395 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2221 3.3570 -9.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7260 4.8687 -10.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8668 -2.9032 -1.3714 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4492 -3.6045 -0.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 0.1887 -0.9738 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8590 0.6480 -2.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 -0.3874 -3.9992 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2112 0.9687 -3.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9666 -0.6149 -3.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6989 -0.4062 -1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7221 -2.8681 -3.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6178 -2.5447 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 -2.4887 -3.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0964 -2.1278 -1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9447 -4.3350 -2.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -4.8179 -3.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0978 -4.5196 -1.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6018 -4.2203 -0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5984 -6.4109 -0.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0916 -8.2257 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -7.6721 -2.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0491 -6.0120 -1.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5232 -6.8894 0.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6965 -7.3014 -0.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4402 -9.2612 0.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8290 -9.5647 -0.6550 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2717 -10.1263 0.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4101 -10.2704 1.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 -8.7644 1.2790 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 2 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 2 0 24 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 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 21 45 1 0 45 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 2 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 36109 1 0 37110 1 0 37111 1 0 38112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 43120 1 0 43121 1 0 44122 1 0 44123 1 0 44124 1 0 45125 1 0 45126 1 0 49127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 57142 1 0 58143 1 0 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 61151 1 0 M END