HMDB0095347 RDKit 3D TG(12:0/15:0/8:0) 116115 0 0 0 0 0 0 0 0999 V2000 2.1198 6.8753 6.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9730 5.6586 5.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7713 5.3134 4.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5659 4.1239 4.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2533 2.8642 4.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 2.4784 4.6062 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 1.2546 5.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9788 -0.0509 5.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9780 -0.6669 3.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7343 0.0425 2.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6564 -0.7205 1.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2227 -0.8814 0.8472 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5946 0.4497 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8155 0.4589 0.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9800 -0.1258 -1.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0339 -0.6581 -1.7415 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1692 -0.1025 -1.8194 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5448 -0.5434 -3.0405 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7264 0.6186 -4.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4879 1.2451 -4.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2429 2.3510 -4.9657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2272 2.8047 -5.6196 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0787 3.0157 -5.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2913 4.0396 -3.9925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 5.1135 -3.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4737 6.0930 -2.8979 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4760 5.5133 -1.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2087 6.5699 -0.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2596 7.6504 -0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7456 -1.3817 -3.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8132 -2.6619 -2.6911 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0423 -3.7390 -3.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 -3.5185 -4.0397 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1848 -5.1244 -2.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9164 -5.1528 -1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3157 -4.5111 -0.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1303 -5.0672 0.5197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8314 -5.2762 -0.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1420 -4.0619 -0.6918 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2211 -4.3325 -1.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4652 -5.3025 -2.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8680 -5.0643 -3.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3283 -3.7345 -4.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6534 -3.6019 -5.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4498 7.3221 7.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3939 7.6310 5.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0431 6.6598 6.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 4.8211 6.5981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0294 5.9523 6.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1940 6.1926 3.9015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7085 5.2704 4.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4433 4.0067 2.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 4.3582 4.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4464 3.0261 5.8698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 2.0571 4.3664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2204 3.3230 5.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 2.6663 3.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 1.1407 4.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2475 1.4239 6.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0210 -0.1357 5.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -0.8139 5.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 -0.8126 3.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3953 -1.7065 3.8165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5698 1.0947 2.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8353 -0.0518 2.9368 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1288 -1.6981 1.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1911 -0.1354 0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3044 -1.4085 -0.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -1.5456 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 1.0514 -0.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7140 1.0527 1.6166 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1432 1.5239 0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5143 -0.0220 0.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6608 -1.0904 -3.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5750 1.2447 -3.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9516 0.1133 -5.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2160 3.4527 -6.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8817 2.2492 -4.9721 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3972 3.5643 -3.0072 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2758 4.5290 -4.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7168 5.6765 -4.9639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7754 4.7225 -3.9085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5035 6.6181 -3.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 6.9253 -2.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3235 4.7487 -1.4122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 5.0063 -1.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7669 7.0446 -0.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1806 6.0652 0.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 7.2303 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9126 8.5587 -1.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5748 7.9383 0.5442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0273 -1.3455 -4.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 -0.8100 -2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8094 -5.7432 -3.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2075 -5.6038 -2.6299 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9655 -4.7311 -1.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1579 -6.2476 -1.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 -3.3828 -0.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -4.4562 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9691 -4.4344 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4120 -6.0730 1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8383 -6.0655 -0.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0846 -5.6920 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 -3.3713 0.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7877 -3.4962 -1.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8461 -4.6688 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7176 -3.3416 -1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2136 -6.3578 -1.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 -5.3697 -2.4206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1872 -5.2433 -3.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3598 -5.8330 -4.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1061 -2.8870 -3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4283 -3.7524 -4.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -4.3436 -5.6679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1643 -2.5910 -5.6403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 -3.7664 -6.3922 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 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 1 0 15 16 2 0 15 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 18 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 9 63 1 0 10 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 12 69 1 0 13 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 18 74 1 6 19 75 1 0 19 76 1 0 23 77 1 0 23 78 1 0 24 79 1 0 24 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 27 85 1 0 27 86 1 0 28 87 1 0 28 88 1 0 29 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 44116 1 0 M END