HMDB0045896 RDKit 3D TG(20:0/18:3(6Z,9Z,12Z)/14:1(9Z)) 159158 0 0 0 0 0 0 0 0999 V2000 -0.6534 -1.5462 9.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3829 -1.5916 8.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1301 -0.2626 8.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1118 0.8549 8.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8193 2.1471 8.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8369 2.9293 6.9674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1901 2.6516 5.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8672 3.7175 5.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2716 5.0677 5.4017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0878 6.2446 5.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 6.5446 3.8119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6161 5.5770 3.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1549 6.1833 1.8868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0833 5.3441 1.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9833 5.8907 0.4179 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1039 3.9317 1.1923 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1020 3.2791 0.4131 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0418 1.7952 0.4524 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2025 1.2418 -0.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8749 1.7027 -1.7613 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7820 1.1716 -2.4073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 0.2579 -1.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2476 1.5105 -3.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6774 0.5755 -4.8317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9940 0.9168 -6.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 2.2795 -6.6493 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4580 2.5091 -7.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9863 2.4208 -7.7186 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 2.5907 -8.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 2.4700 -8.7536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0015 1.2165 -8.5029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6198 0.1973 -7.5352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5448 -0.6955 -7.8792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 -1.6160 -6.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1485 -2.4991 -6.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3884 -3.4057 -5.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 -2.6524 -4.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4636 -3.5132 -2.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3591 -4.3427 -2.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8524 -5.2248 -1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 -6.0120 -0.6795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1632 1.2856 1.7752 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2451 0.3261 2.1408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4141 -0.0207 1.2253 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1268 -0.3276 3.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0344 -1.3931 3.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6756 -0.8777 3.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6577 -2.0360 3.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6223 -1.4459 2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7123 -1.5190 3.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -2.1969 4.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8731 -3.2641 4.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0222 -3.3098 4.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4989 -2.3638 5.9250 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6576 -1.5310 5.7182 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4175 -1.4426 4.6877 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3116 -2.1571 3.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 -1.1010 2.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0565 -1.7667 0.9860 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9341 -0.7691 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7178 0.1189 0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6199 -2.5336 9.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6736 -1.3903 9.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3629 -0.7840 10.2545 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1190 -2.3684 8.5857 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1559 -1.7287 7.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5743 -0.0591 9.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8719 -0.3050 7.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6271 0.8586 8.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4621 0.5883 7.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3462 2.4505 8.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4138 3.8694 7.0820 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9632 2.7754 4.8596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2000 1.6401 5.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 3.4423 4.4945 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6587 3.6667 6.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1971 5.2244 6.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6168 5.0935 4.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4379 7.1682 5.3994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9468 6.2699 5.8667 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 7.5479 3.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8245 6.7378 3.0593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 5.3773 3.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0950 4.6544 2.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2855 6.4760 1.2383 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 7.1364 2.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0022 3.6365 -0.6332 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1070 3.6009 0.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1279 1.4303 -0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1361 1.7151 -0.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2159 0.1571 -0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 1.5061 -3.7107 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5000 2.5475 -4.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7655 0.7435 -4.9861 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5621 -0.4807 -4.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9174 0.6739 -6.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3867 0.1651 -6.8722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9466 3.0789 -5.9568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3017 2.4123 -6.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7247 3.5318 -8.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8269 1.8081 -8.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 1.6629 -7.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7338 3.4052 -7.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4999 1.8922 -9.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3246 3.6066 -9.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8467 2.9167 -9.6964 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6054 3.2720 -7.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1101 0.6700 -9.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1364 1.4212 -8.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4989 -0.5031 -7.3975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4635 0.6345 -6.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 -0.1871 -8.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1706 -1.4426 -8.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7657 -2.2662 -7.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3379 -1.0186 -5.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4960 -3.1759 -7.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9837 -1.9044 -5.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 -3.9784 -5.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3853 -4.1358 -4.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 -2.0094 -4.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1564 -1.9875 -3.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7846 -2.8063 -2.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3373 -4.1178 -3.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2083 -4.9341 -3.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3590 -3.6270 -1.8634 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -4.5672 -0.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6892 -5.8613 -1.5367 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 -6.9206 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1981 -6.2562 0.4020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2532 -5.4070 -0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0761 -0.7442 3.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8012 0.4401 4.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0392 -1.9203 4.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3642 -2.1130 2.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3634 -0.2659 4.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 -0.2302 2.2662 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6879 -2.5878 3.9675 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0671 -2.6617 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6035 -0.8818 1.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6113 -1.0317 2.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1511 -1.4295 5.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9042 -2.5934 4.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5664 -4.0375 3.6402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6293 -4.2100 4.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7351 -2.9286 6.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6724 -1.6984 6.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9598 -0.8419 6.5772 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2932 -0.7212 4.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3445 -2.6079 3.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6287 -2.9616 3.2887 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1403 -0.5439 2.3289 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3330 -0.4211 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1502 -2.4237 0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9552 -2.3967 0.7735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8165 -0.0804 -0.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8398 -1.2450 -1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7790 -0.4448 0.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9189 0.8017 0.8900 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6171 0.7607 -0.8720 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 2 0 21 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 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 18 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 2 0 56 57 1 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 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 17 87 1 0 17 88 1 0 18 89 1 6 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 0 24 95 1 0 25 96 1 0 25 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 35117 1 0 36118 1 0 36119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 39124 1 0 39125 1 0 40126 1 0 40127 1 0 41128 1 0 41129 1 0 41130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 49139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 53144 1 0 54145 1 0 54146 1 0 55147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 60155 1 0 60156 1 0 61157 1 0 61158 1 0 61159 1 0 M END