HMDB0042089 RDKit 3D TG(14:0/14:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 149148 0 0 0 0 0 0 0 0999 V2000 -2.5176 -5.4198 8.1433 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8538 -3.9185 8.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2662 -3.8394 7.5881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -3.2901 6.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7207 -2.6851 5.4990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8455 -3.4526 4.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2359 -2.8873 3.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6023 -1.5340 2.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9538 -0.6307 1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8753 -0.7884 1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0109 -2.0222 1.3095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6003 -1.5994 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3315 -2.0443 0.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -2.9439 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -2.4784 -1.6687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 -3.1263 -2.3395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2658 -4.3337 -2.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2052 -5.0546 -0.8213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2551 -5.2940 -0.0615 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6367 -4.9649 -0.2248 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2319 -4.0145 0.7415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9782 -2.6160 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9752 -1.9926 -0.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 -1.7456 0.9574 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2106 -0.4153 0.6134 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2733 0.6700 0.9221 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0889 0.7107 2.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5938 1.7857 3.0384 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4734 2.5611 3.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5951 2.2623 2.2062 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2825 3.6736 3.9682 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5383 5.0648 3.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8417 5.8643 2.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9934 5.6610 1.2513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 5.8979 0.7726 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5131 5.8207 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9099 6.0103 -1.2335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0318 5.9552 -2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5768 4.6407 -3.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6789 4.5246 -4.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0786 4.6835 -5.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0128 3.6286 -4.7244 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 2.2591 -5.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 0.7374 0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8099 1.7421 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8577 2.5048 -0.7799 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6525 2.0938 -1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6643 1.4637 -1.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 2.0391 -2.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0906 1.4959 -1.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3190 0.0547 -2.1368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7969 -0.2328 -1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2129 -1.6308 -2.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -2.6700 -1.3259 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0083 -4.0704 -1.6633 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4883 -4.2066 -1.3937 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8309 -3.9519 0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3391 -4.1187 0.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7867 -3.8904 1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 -5.5842 7.9172 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8319 -5.7876 9.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1021 -5.9203 7.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1210 -3.4376 7.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7370 -3.4987 9.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0540 -4.2729 8.2608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7042 -3.2670 6.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6471 -2.7427 5.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0224 -1.6297 5.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5921 -4.5354 4.2815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3140 -3.6398 2.2752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7427 -1.6198 2.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8159 -0.9553 3.8400 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4996 0.3625 1.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5643 0.0537 0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3032 -2.7695 2.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1065 -2.4551 0.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 -0.9509 2.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -1.7392 0.9635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9963 -3.1071 -0.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3914 -3.9635 -0.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1879 -1.5420 -2.1222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 -2.6216 -3.3238 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3825 -4.1122 -2.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1169 -5.0954 -2.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 -5.5605 -0.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0188 -5.8595 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9343 -4.6308 -1.2562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2145 -5.9735 -0.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0268 -4.3685 1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3631 -4.1935 0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5711 -0.4013 -0.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 -0.1521 1.1736 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 1.6179 0.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1154 0.5002 2.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5027 -0.2460 2.7247 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1681 3.5672 4.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8052 3.3345 4.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6896 5.2263 3.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 5.6175 4.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9169 6.9898 2.9474 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 5.7057 2.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6680 4.6483 0.9634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 6.3792 0.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 5.1694 1.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6934 6.8998 1.1712 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9591 6.7651 -1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 4.9569 -1.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5399 5.2339 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3118 6.9899 -0.8687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4085 6.7982 -3.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0695 6.2150 -3.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 3.8289 -2.7843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 4.5123 -3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0255 5.2505 -5.2458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3605 3.4882 -5.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5092 5.6889 -5.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0410 4.5238 -6.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 3.8084 -5.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1079 3.6863 -3.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7406 1.9393 -4.4291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2078 2.2164 -6.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3729 1.5416 -4.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9146 1.8353 -2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5112 3.2263 -1.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9571 1.6659 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 0.3973 -1.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6816 3.1520 -1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4378 1.8952 -3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5337 1.7085 -0.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7698 2.0769 -2.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6412 -0.6230 -1.6325 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2024 -0.1268 -3.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 0.5147 -2.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0610 -0.0066 -0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2998 -1.7105 -1.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1227 -1.8565 -3.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4320 -2.6439 -1.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6530 -2.5219 -0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7583 -4.3166 -2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4864 -4.8103 -1.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7502 -5.2838 -1.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0791 -3.5700 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3097 -4.6700 0.7062 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5373 -2.9382 0.3763 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8641 -3.3800 -0.4297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6668 -5.1282 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9874 -3.4546 2.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1153 -4.8570 2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6744 -3.1995 1.6621 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 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 2 0 29 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 26 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 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 6 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 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 43122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 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 56142 1 0 57143 1 0 57144 1 0 58145 1 0 58146 1 0 59147 1 0 59148 1 0 59149 1 0 M END