HMDB0048653 RDKit 3D TG(16:1(9Z)/18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -4.3483 -2.2603 6.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0506 -2.6965 5.6426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0942 -1.5175 4.7919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5405 -1.4491 3.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7859 -2.5895 3.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4869 -2.8968 1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8494 -2.8067 0.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4384 -2.4058 0.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6628 -3.4929 -0.1616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9455 -3.3541 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8126 -2.0965 -1.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0063 -2.3089 -3.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0621 -1.8626 -4.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1580 -1.1264 -3.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1838 0.1176 -4.6487 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 0.4857 -5.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -0.1561 -5.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6544 0.8167 -5.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5373 1.0712 -4.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8333 0.4696 -2.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9056 1.6645 -2.0234 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1738 1.3975 -0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1980 0.2573 -0.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4129 2.4877 0.2045 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6215 2.4126 1.6455 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 2.0499 2.1641 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3251 3.0727 1.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2131 4.3379 1.9534 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 5.0981 3.0305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6978 4.4908 4.1033 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 6.6280 2.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8701 6.9496 1.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6376 6.3012 0.7974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 6.3489 -0.6897 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5610 5.5412 -1.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5491 4.2900 -0.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9091 3.0275 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6803 2.3878 -2.0937 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4069 1.3029 -1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4666 0.7718 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1507 -0.6683 -0.1454 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1073 -1.6126 -0.7986 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7697 -3.0318 -0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7870 -3.9331 -1.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7357 -3.7920 -2.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9324 1.8652 3.4820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2105 0.7321 3.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0217 -0.0060 2.6806 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5867 0.1023 4.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1051 0.4896 5.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4558 0.3919 3.6946 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 0.6319 3.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4348 0.9139 2.2588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9122 1.1305 2.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 1.8115 0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 2.1019 0.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1146 1.9316 -0.8133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5562 1.3974 -2.0359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2600 0.3616 -2.7780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5377 -0.9922 -2.2824 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3905 -1.7254 -3.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6361 -3.1217 -2.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4349 -4.0060 -2.8723 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7922 -5.4136 -2.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5753 -6.2995 -2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5933 -2.9315 7.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6249 -1.2057 7.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -2.2492 6.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5681 -3.5918 5.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1169 -2.8964 6.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6347 -0.6419 5.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 -0.5208 3.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8820 -3.5351 3.6136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7632 -2.2697 2.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5563 -3.2058 1.7645 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -3.0626 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0251 -2.0776 1.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4755 -1.4872 -0.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7296 -4.4876 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3751 -4.2116 -1.6349 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3083 -1.9290 -1.9128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2702 -1.2084 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8986 -2.8140 -3.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2120 -2.0454 -5.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0121 -1.7653 -3.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9405 -0.7323 -2.7957 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2239 0.6712 -4.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1888 1.4065 -5.9162 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6697 -0.9790 -4.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7041 -0.6826 -6.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6929 1.5114 -6.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2665 1.9181 -4.5456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1297 -0.2953 -2.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8565 0.0349 -3.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 2.2515 -2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0461 2.3144 -2.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9231 3.4435 1.9225 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4334 1.7142 1.8742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0126 1.1206 1.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 2.5295 1.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5722 3.0486 0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 6.9454 3.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7287 7.0632 3.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8803 8.0330 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7497 6.4790 1.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 5.3124 1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7955 6.9997 1.0819 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7201 7.3745 -1.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6758 5.8403 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7949 5.3953 -2.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 6.1526 -1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 4.0377 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0138 4.5608 0.4070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1076 3.3391 -1.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5809 2.3529 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6270 2.7922 -3.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 0.7912 -2.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 1.4103 0.2985 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5535 0.9595 -0.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 -0.8889 0.9683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0842 -0.8271 -0.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1003 -1.4248 -0.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2025 -1.5476 -1.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -3.3433 -0.7855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 -3.1425 0.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6733 -4.9644 -0.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7902 -3.5612 -0.7703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -2.8966 -2.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7135 -3.8686 -3.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2813 -4.6793 -3.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 -0.9821 4.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0655 0.4742 5.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0622 1.5442 5.3959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6775 -0.2066 5.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8796 1.2151 3.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6653 -0.6069 3.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6188 -0.2402 4.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3191 1.5025 4.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0112 0.1591 1.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 1.8949 1.9932 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2856 1.8122 2.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4496 0.1852 2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5671 2.8113 0.7258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5347 1.2595 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0778 2.5424 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1990 2.2424 -0.7939 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 2.2865 -2.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4656 1.0928 -1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7780 0.2575 -3.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3039 0.8153 -3.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0961 -1.0552 -1.3474 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 -1.5767 -2.2349 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7099 -1.7409 -4.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2878 -1.1424 -3.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3657 -3.6148 -3.6651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1632 -3.2154 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5739 -3.6079 -2.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0730 -4.1234 -3.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3622 -5.4028 -1.4842 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4691 -5.8756 -3.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7822 -7.3575 -2.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1806 -6.2824 -1.3042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7431 -5.9379 -2.9872 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 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 26 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 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 31103 1 0 32104 1 0 32105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 36112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 39117 1 0 40118 1 0 40119 1 0 41120 1 0 41121 1 0 42122 1 0 42123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 45128 1 0 45129 1 0 45130 1 0 49131 1 0 49132 1 0 50133 1 0 50134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 53139 1 0 53140 1 0 54141 1 0 54142 1 0 55143 1 0 55144 1 0 56145 1 0 57146 1 0 58147 1 0 58148 1 0 59149 1 0 59150 1 0 60151 1 0 60152 1 0 61153 1 0 61154 1 0 62155 1 0 62156 1 0 63157 1 0 63158 1 0 64159 1 0 64160 1 0 65161 1 0 65162 1 0 65163 1 0 M END