HMDB0042579 RDKit 3D TG(14:0/20:2n6/16:1(9Z)) 155154 0 0 0 0 0 0 0 0999 V2000 -1.7952 4.5821 -3.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5036 5.2474 -3.3179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7098 4.5866 -3.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9355 5.3474 -3.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2314 5.3587 -2.0514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3794 6.2681 -1.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 7.3165 -1.0915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0833 7.6979 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4232 7.9207 1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9989 7.2803 2.0908 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 6.1536 2.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2015 6.4760 2.8961 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9440 5.1604 3.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2405 5.4166 3.8368 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9181 4.2108 4.3223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 3.1096 3.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9700 2.0590 4.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 0.8128 3.5449 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0566 -0.0287 4.6344 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5559 -1.3317 4.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3184 -1.9302 5.1794 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3430 -2.0765 3.1589 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9290 -3.3809 3.0122 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7807 -4.3992 3.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8076 -4.1221 2.1337 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6672 -4.8685 2.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4892 -5.8171 2.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 -4.6075 1.0553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4027 -5.5117 1.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6834 -5.1737 0.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8388 -6.0924 0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0299 -5.8450 -0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1257 -6.8070 0.0074 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -6.5723 -0.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0485 -6.7309 -2.2854 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 -5.7753 -3.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7487 -4.4272 -2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7599 -3.3150 -3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -3.4307 -4.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 -2.3547 -5.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1864 -2.3216 -4.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3818 -3.5721 -4.6867 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7853 -3.5612 1.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2190 -3.5087 0.5747 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4659 -2.5230 -0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2318 -1.5068 0.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9664 -2.6717 -1.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0787 -1.4954 -1.7834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8065 -0.2007 -1.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0697 0.9831 -2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7896 1.4023 -1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5912 0.5465 -1.9442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3590 1.1798 -1.2753 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8581 0.3495 -1.5266 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0705 0.9826 -0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 1.1498 0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1988 1.7823 1.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9421 1.8935 2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1331 2.5125 3.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2317 5.1106 -4.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5102 4.6747 -2.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 3.5170 -3.8914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4735 5.2359 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5079 6.3443 -3.5865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6307 4.5210 -5.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 3.5764 -3.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8859 6.4170 -3.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7962 4.8455 -4.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6198 4.3282 -1.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3375 5.5309 -1.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3061 6.0267 -2.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1632 7.9827 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2251 7.0462 -0.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7749 8.7109 -0.7834 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1592 8.7872 1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 7.6617 3.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6074 5.3005 2.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7989 5.7524 1.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 7.1031 2.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0229 7.0261 3.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2639 4.5128 3.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1545 4.7243 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9009 6.1093 3.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9438 6.0393 4.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9101 4.4651 4.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 3.7395 5.2057 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0411 3.4608 2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3984 2.7303 2.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8413 2.5786 4.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2522 1.8103 5.0614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1600 0.9822 2.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5349 0.2535 3.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 -0.0476 5.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9107 0.6142 5.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5325 -3.5669 3.9181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3895 -4.3879 4.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2124 -5.3954 2.9237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 -4.9450 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3348 -3.5551 0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6788 -6.5725 1.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -5.4376 2.3154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9863 -4.1081 0.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3216 -5.3521 -0.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1566 -5.9527 1.6127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4889 -7.1470 0.4331 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7398 -5.9977 -1.4091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 -4.8101 -0.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7812 -7.8588 -0.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -6.6512 1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7435 -5.5928 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1071 -7.3818 -0.5777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6429 -7.7187 -2.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9458 -6.0398 -4.2106 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1017 -4.2637 -1.9089 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6516 -4.2306 -3.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8275 -3.5650 -2.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 -2.3703 -2.9953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9901 -4.4359 -4.9475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3592 -3.3896 -5.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3164 -2.5583 -6.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9662 -1.3588 -5.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2415 -1.9704 -3.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -1.5124 -5.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2076 -3.9879 -3.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8429 -4.3327 -5.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 -3.4046 -5.1013 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6639 -2.8487 1.9302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3141 -4.5704 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3127 -3.5710 -1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7693 -2.7357 -2.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3209 -1.4235 -0.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 -1.7420 -2.7278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6517 -0.3552 -2.5713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3319 -0.0000 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8300 1.8458 -2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 0.7989 -3.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5973 2.4714 -1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8849 1.5147 -0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3529 0.6577 -3.0566 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6406 -0.5014 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 1.1856 -0.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1900 2.2114 -1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7228 -0.6985 -1.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0117 0.1748 -2.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3247 1.9525 -1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9575 0.3142 -1.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0745 1.8353 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 0.2232 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4065 2.7808 0.7392 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0627 1.1027 1.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 2.5223 2.8681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8066 0.8583 3.0384 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9165 3.5920 3.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 2.4797 2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3487 2.0267 4.3513 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 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 2 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 23 43 1 0 43 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 3 66 1 0 4 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 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 19 93 1 0 19 94 1 0 23 95 1 1 24 96 1 0 24 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 31104 1 0 31105 1 0 32106 1 0 32107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 35112 1 0 36113 1 0 37114 1 0 37115 1 0 38116 1 0 38117 1 0 39118 1 0 39119 1 0 40120 1 0 40121 1 0 41122 1 0 41123 1 0 42124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 51137 1 0 51138 1 0 52139 1 0 52140 1 0 53141 1 0 53142 1 0 54143 1 0 54144 1 0 55145 1 0 55146 1 0 56147 1 0 56148 1 0 57149 1 0 57150 1 0 58151 1 0 58152 1 0 59153 1 0 59154 1 0 59155 1 0 M END