HMDB0047768 RDKit 3D TG(14:1(9Z)/15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 150149 0 0 0 0 0 0 0 0999 V2000 4.3079 -7.3943 -0.7283 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6956 -6.2249 -1.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6042 -5.3539 -0.9016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 -4.0986 -0.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1210 -3.3969 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 -2.2932 -2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2935 -1.0465 -1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5681 -0.4482 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4737 0.3480 -1.2665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2321 0.2146 -1.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6532 -0.7981 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -0.0205 0.9719 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3197 0.0339 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2492 -0.7058 0.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -1.5999 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 -1.4821 1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1359 -0.4688 0.3539 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0411 0.3510 1.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8698 1.6071 1.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7808 2.5054 0.9045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1270 3.0795 2.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9950 3.9514 1.9261 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8131 3.4830 2.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9981 5.2451 1.4455 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8603 6.0401 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8041 5.6295 0.3598 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5602 6.0938 0.9392 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 5.0501 0.7030 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7518 5.0158 1.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 5.9751 1.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4869 3.6890 0.7723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5075 2.6588 1.4550 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 2.9728 2.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6132 2.6378 3.7525 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7381 1.2015 4.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7049 0.1868 3.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8250 -1.2545 3.6717 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7723 -1.4795 4.6676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8146 -2.3335 4.5274 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6108 -3.1984 3.3863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6191 -4.6865 3.7414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3445 -5.5491 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3809 -5.3396 1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9344 5.5940 -0.9560 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 4.7019 -1.9816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8953 3.5014 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1595 5.1328 -3.3731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1611 4.1352 -4.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2314 3.0701 -4.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1135 2.2082 -5.6157 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1144 1.1110 -5.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9965 0.0686 -4.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6638 -0.6509 -4.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4870 -1.7054 -3.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5416 -2.7726 -3.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2813 -3.7732 -2.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3131 -4.8899 -2.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6918 -4.3331 -2.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7108 -5.4572 -2.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1010 -4.8760 -2.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3585 -7.0844 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0235 -8.2405 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2935 -7.7611 -0.9726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7837 -5.8153 -2.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2230 -6.7255 -2.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5372 -5.8222 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0526 -3.4672 -0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6873 -2.9398 -0.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3704 -4.0120 -1.6093 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -2.6066 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6845 -0.3400 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -1.1046 0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3395 0.2875 -0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8103 1.1468 -1.9870 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4973 0.9016 -1.5487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0315 -1.4248 -0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4404 -1.4635 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 0.5823 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7278 0.6486 2.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8307 0.0029 -0.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 -1.4090 -0.3488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6716 -2.3708 1.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0149 -2.1841 1.7397 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8336 -1.0776 -0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5891 0.1513 -0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8989 -0.1558 1.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5922 2.1499 2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1884 3.2960 0.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0365 1.9295 0.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8921 3.6400 2.7311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 2.2252 2.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1398 7.1366 1.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3787 6.0490 2.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7305 4.4455 0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4031 6.1094 2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 7.0835 0.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 3.5053 -0.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4256 3.7508 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5247 2.8699 0.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8231 1.6650 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5628 2.3861 3.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1048 4.0383 3.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5928 2.9736 3.3467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4843 3.2166 4.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 0.9919 5.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7448 1.1037 4.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6989 0.1027 2.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4518 0.3673 2.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9079 -1.9963 2.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8070 -1.2659 4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 -0.8611 5.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 -2.4203 5.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5490 -3.0276 3.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2376 -3.0546 2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5340 -4.9566 4.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7594 -4.8993 4.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2554 -6.6240 2.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3217 -5.2817 2.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2217 -4.3598 1.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3846 -5.4626 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2134 -6.1377 0.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3948 5.9556 -3.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1654 5.6703 -3.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3547 4.6922 -5.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1507 3.6693 -4.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1673 2.4692 -3.4365 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2086 3.6034 -4.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0708 1.8556 -5.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2771 2.8886 -6.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1537 1.5455 -5.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9994 0.5537 -6.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8085 -0.6462 -4.7093 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 0.5615 -3.5950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8672 0.0955 -4.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5730 -1.1003 -5.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5154 -2.2196 -3.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3745 -1.2228 -2.6706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5622 -2.3276 -3.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4800 -3.2798 -4.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2681 -3.2864 -1.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 -4.2833 -2.8392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2712 -5.5558 -3.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0762 -5.4819 -1.6322 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -3.7466 -1.4184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0343 -3.6431 -3.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6226 -6.0529 -3.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5284 -6.1330 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1843 -3.8838 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 -4.7111 -1.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8414 -5.5407 -2.5635 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 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 59 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 19 87 1 0 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 0 25 93 1 0 26 94 1 1 27 95 1 0 27 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 43121 1 0 47122 1 0 47123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 50129 1 0 51130 1 0 51131 1 0 52132 1 0 52133 1 0 53134 1 0 53135 1 0 54136 1 0 54137 1 0 55138 1 0 55139 1 0 56140 1 0 56141 1 0 57142 1 0 57143 1 0 58144 1 0 58145 1 0 59146 1 0 59147 1 0 60148 1 0 60149 1 0 60150 1 0 M END