HMDB0042196 RDKit 3D TG(14:0/20:0/18:2(9Z,12Z)) 163162 0 0 0 0 0 0 0 0999 V2000 -0.7047 9.9668 -8.1080 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0217 9.0812 -7.1107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 8.9630 -5.8168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0511 8.0675 -4.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6552 7.8965 -3.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9845 7.3135 -3.7005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4346 6.1893 -3.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6036 5.3157 -2.3455 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2285 5.1202 -1.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5939 3.9911 -0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4041 2.7158 -1.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6948 1.9395 -1.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4296 0.6479 -2.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4460 -0.1980 -1.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1834 -1.5100 -2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1288 -2.2855 -1.5039 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7722 -3.5707 -2.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -4.2382 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0138 -4.5825 -0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5941 -4.4451 -1.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6502 -5.0184 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8901 -3.9913 0.0026 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8831 -2.6051 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0080 -2.1183 -1.1651 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2452 -1.8782 -0.5595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2534 -2.1355 0.6665 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4210 -1.3694 -1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5309 -0.8397 -0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5281 0.4068 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5339 0.7314 1.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1712 1.1743 0.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9226 2.5228 0.4387 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 3.0305 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3059 2.3720 -2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 2.2359 -2.5409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8272 1.5533 -3.9049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4155 1.4378 -4.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5410 0.6381 -3.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1513 0.6213 -4.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 -4.3145 0.9204 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6447 -4.7359 2.2253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4023 -4.8258 2.4903 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6440 -5.0527 3.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9938 -5.4296 4.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0902 -4.3877 5.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5405 -4.9246 6.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5103 -3.9961 7.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3515 -3.9258 6.1269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8120 -3.0461 6.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8208 -3.1827 5.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0909 -2.4102 5.6277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9162 -2.7484 4.4013 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2262 -2.0720 4.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8573 -2.5875 2.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1988 -1.9732 2.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7037 -2.6017 1.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0285 -2.0392 0.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5282 -2.6855 -0.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6029 -2.5199 -1.4477 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3323 -1.0871 -1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3815 -1.1355 -3.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8348 9.4442 -9.0871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 10.2076 -7.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1523 10.9017 -8.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0427 9.4990 -6.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1528 8.0770 -7.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8212 9.9656 -5.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7301 8.5113 -6.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1698 7.0906 -5.4019 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0499 8.5143 -4.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0429 7.4471 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 8.9694 -3.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6971 7.8871 -4.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4673 5.8644 -3.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2719 4.4268 -2.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6407 5.8776 -2.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4015 6.0348 -0.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 3.9820 0.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8783 2.8463 -2.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8243 2.0658 -0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3413 2.5700 -2.0556 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 1.7273 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 0.1086 -2.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1663 0.8689 -3.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4746 0.3314 -1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 -0.4724 -0.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1782 -2.0555 -2.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0176 -1.3971 -3.2587 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2297 -1.6605 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5357 -2.6019 -0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 -3.4040 -3.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6677 -4.2028 -2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5115 -5.2483 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2483 -5.9395 -0.6261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9315 -4.0795 0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5504 -1.9447 0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0372 -2.5247 -1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8401 -2.3319 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -0.8025 -2.2166 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7775 -1.6815 0.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5062 -0.9123 -1.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7254 1.2351 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5792 0.4133 0.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0267 1.5131 1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4720 -0.1381 1.9907 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6330 1.1414 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 0.4730 0.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7836 2.5828 0.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0158 3.3261 1.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6079 3.2784 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0759 4.0991 -0.9185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7465 3.0946 -2.8671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 1.4567 -2.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 3.2259 -2.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3608 1.5525 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2614 0.5246 -3.8503 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4686 2.1030 -4.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4032 0.9470 -5.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9359 2.4364 -4.5160 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4630 1.0356 -2.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9295 -0.4134 -3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1468 -0.4301 -4.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5616 1.1329 -3.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 1.1285 -5.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -5.9667 2.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 -4.2855 3.4111 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7164 -5.7298 5.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 -6.3540 4.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -3.4600 5.3470 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2885 -4.0341 4.5002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 -5.8969 6.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4098 -5.0586 7.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1703 -4.5256 7.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9262 -3.0344 7.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0592 -4.9372 5.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6500 -3.4575 5.1523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2036 -3.4674 7.5244 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4872 -1.9976 6.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3126 -2.8291 4.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0938 -4.2487 5.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.3337 5.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6298 -2.6525 6.5593 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 -3.8615 4.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.5273 3.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1597 -0.9773 4.2623 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 -2.3619 5.1454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1818 -2.3767 2.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0090 -3.6981 3.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1247 -0.8866 2.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9488 -2.2423 3.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8186 -3.6875 1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 -2.3756 0.6293 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7636 -2.2414 1.7798 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9900 -0.9383 0.8249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8410 -3.7295 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4717 -2.1166 -0.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1008 -2.9823 -2.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6328 -2.9985 -1.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2522 -0.5383 -2.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8160 -0.5296 -1.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6483 -2.0328 -3.6529 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3570 -1.2819 -2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4102 -0.2043 -3.6250 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 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 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 6 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 21 93 1 0 21 94 1 0 22 95 1 1 23 96 1 0 23 97 1 0 27 98 1 0 27 99 1 0 28100 1 0 28101 1 0 29102 1 0 29103 1 0 30104 1 0 30105 1 0 31106 1 0 31107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 39124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 51141 1 0 51142 1 0 52143 1 0 52144 1 0 53145 1 0 53146 1 0 54147 1 0 54148 1 0 55149 1 0 55150 1 0 56151 1 0 56152 1 0 57153 1 0 57154 1 0 58155 1 0 58156 1 0 59157 1 0 59158 1 0 60159 1 0 60160 1 0 61161 1 0 61162 1 0 61163 1 0 M END