HMDB0042264 RDKit 3D TG(14:0/24:0/18:3(9Z,12Z,15Z)) 173172 0 0 0 0 0 0 0 0999 V2000 -7.4044 0.2150 3.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6252 0.0731 2.3723 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3828 1.3600 1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1825 1.8408 1.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9349 1.1032 1.8338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1797 0.9409 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9840 1.4149 0.4152 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3495 2.1570 1.5251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1056 3.5309 1.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0184 4.1626 1.0504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3307 3.6744 1.5139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9802 4.5220 2.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6752 4.7913 3.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2403 5.0539 4.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 3.7214 4.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1789 3.0032 5.7036 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7906 1.5902 5.5804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0028 0.7835 4.6312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1321 1.3036 4.3014 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 -0.4305 4.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6909 -1.0465 3.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 -2.3430 2.6173 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6240 -2.8227 1.8936 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -2.8330 2.9207 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9149 -3.1777 2.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1482 -3.4859 1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9753 -3.1673 3.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2627 -3.3968 2.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5087 -3.3710 3.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9091 -2.1905 4.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0660 -0.8747 3.8423 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8168 -0.2644 3.3353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0239 1.0838 2.6624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8958 0.9184 1.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1191 2.2187 0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7875 2.8074 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0009 4.0782 -0.5173 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8223 3.8234 -1.7735 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1251 2.8373 -2.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6923 -2.2357 1.6823 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8068 -3.0438 1.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9956 -3.9573 2.3757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7908 -2.7925 0.4658 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5164 -3.7534 -0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -5.1733 -0.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4497 -6.1729 -1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 -5.9451 -2.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8233 -7.0708 -3.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3838 -7.2564 -3.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6247 -6.1540 -4.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0783 -5.8066 -5.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1934 -4.7858 -6.5157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0570 -3.4605 -5.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1872 -2.5177 -5.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4569 -2.7845 -5.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4110 -1.5661 -5.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6823 -1.8543 -4.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6936 -0.7332 -4.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1844 0.5867 -4.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8616 0.6891 -3.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3394 2.0964 -2.8012 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3125 3.1636 -3.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6316 3.0854 -2.4942 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4945 4.2449 -2.9820 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7013 4.1790 -4.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9875 -0.7076 3.8773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1019 1.0557 3.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6735 0.3045 4.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8142 -0.6094 2.4979 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3704 -0.4617 1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2858 1.9743 1.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1484 2.8367 1.0110 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4857 1.6512 2.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2204 0.0652 2.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6651 0.3815 -0.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4491 1.2838 -0.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3167 1.6725 1.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7775 2.0445 2.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9736 4.1202 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0745 5.2261 0.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4012 2.5950 1.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9857 3.7847 0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0950 4.1906 2.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1333 5.5399 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2290 5.7258 4.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0485 4.0243 4.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2967 5.7381 3.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2642 5.4979 5.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5253 3.7625 4.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0067 3.0944 3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 2.8600 5.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6885 3.5448 6.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8566 1.6331 5.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 1.1136 6.5994 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6823 -1.0489 3.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8488 -0.3316 2.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1447 -3.1690 3.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4996 -3.8595 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9309 -2.0991 1.1334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 -2.2222 4.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8009 -4.0359 4.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2807 -2.9142 1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1649 -4.5185 2.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3494 -3.5782 2.9775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -4.3127 4.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9389 -2.4414 4.9297 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2996 -2.0606 5.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4888 -0.1422 4.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8818 -0.9275 3.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2029 -0.8358 2.6499 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1676 -0.0620 4.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0073 1.4337 2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4161 1.8452 3.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4950 0.1293 0.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9102 0.5921 1.7850 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6698 1.9262 -0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6737 2.9122 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1924 2.0955 -0.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1774 3.0738 1.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5632 4.8259 0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0468 4.5220 -0.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8252 3.4382 -1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9472 4.7702 -2.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0258 2.7951 -2.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5747 1.8294 -2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2076 3.2123 -3.7143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8286 -2.9088 0.7974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6297 -1.7653 0.1201 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1505 -3.4906 -1.5343 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4251 -3.6733 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8593 -5.3180 -0.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 -5.4371 0.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3526 -6.1234 -1.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7210 -7.1957 -0.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8630 -5.0021 -3.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2493 -5.9729 -2.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2997 -8.0170 -3.3295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3135 -6.7868 -4.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -7.5779 -2.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2792 -8.1511 -4.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7523 -5.2036 -3.9346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4512 -6.4045 -4.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9281 -6.7602 -6.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1256 -5.6090 -6.0535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8416 -5.2090 -6.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5801 -4.6067 -7.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8654 -2.9864 -6.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3461 -3.5814 -4.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7866 -1.5302 -5.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3607 -2.1772 -6.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3073 -2.9171 -4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9692 -3.6617 -5.6363 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 -0.6336 -5.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6152 -1.5983 -6.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5129 -2.0473 -3.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1438 -2.7644 -5.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9753 -0.6926 -6.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5892 -1.0316 -4.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3437 0.9540 -5.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0158 1.3276 -4.6812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1237 -0.0284 -2.6652 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8155 0.6400 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0399 2.2561 -1.7736 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3910 2.2202 -3.4147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4519 3.2314 -4.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8572 4.1512 -2.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1869 2.1524 -2.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5522 3.1845 -1.3985 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5066 4.1525 -2.5167 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0700 5.1977 -2.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7926 4.5574 -5.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5190 4.8719 -4.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9484 3.1626 -4.7737 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 22 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 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 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 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 0 21 96 1 0 22 97 1 1 23 98 1 0 23 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 39126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 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 49140 1 0 50141 1 0 50142 1 0 51143 1 0 51144 1 0 52145 1 0 52146 1 0 53147 1 0 53148 1 0 54149 1 0 54150 1 0 55151 1 0 55152 1 0 56153 1 0 56154 1 0 57155 1 0 57156 1 0 58157 1 0 58158 1 0 59159 1 0 59160 1 0 60161 1 0 60162 1 0 61163 1 0 61164 1 0 62165 1 0 62166 1 0 63167 1 0 63168 1 0 64169 1 0 64170 1 0 65171 1 0 65172 1 0 65173 1 0 M END