HMDB0043364 RDKit 3D TG(15:0/22:1(13Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 174173 0 0 0 0 0 0 0 0999 V2000 -6.2985 -4.7331 -6.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7155 -5.0784 -5.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2620 -3.8521 -4.8637 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7804 -3.2416 -3.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6293 -3.6806 -3.0142 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0460 -3.9038 -1.6224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5600 -3.2538 -0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5421 -2.2023 -0.7291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0004 -0.9633 -0.0905 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1352 0.2063 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8989 0.7111 -1.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4873 -0.1428 -3.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3476 -0.0471 -3.6431 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3483 1.0181 -3.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1076 1.8969 -4.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9446 2.1140 -4.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 1.5145 -4.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 2.6003 -4.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4259 2.6704 -4.8804 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7802 1.7178 -5.9238 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0861 1.0279 -5.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 0.2817 -4.3814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1801 0.1263 -3.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3569 -0.2602 -4.0057 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7306 -0.9854 -2.8943 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4713 -0.1284 -1.6377 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7237 1.3413 -1.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9333 2.2363 -1.2807 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6205 2.5996 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1768 2.0098 0.9065 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6230 3.6771 0.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2774 4.0028 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 2.9388 2.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 2.2329 2.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2650 3.0442 1.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8121 1.9989 1.4469 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1267 2.5915 1.1356 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6678 3.4678 2.2468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7858 2.6962 3.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3278 3.3713 4.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6636 4.5152 5.2915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4366 5.8126 4.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5159 6.7081 4.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4166 6.2032 3.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8916 -0.6316 -0.4954 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 -1.1732 0.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3554 -1.2948 0.9611 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 -1.6411 1.6583 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1898 -2.3441 2.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 -1.6220 3.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1572 -0.4902 4.4885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5575 0.2034 5.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2341 0.8326 5.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0276 -0.0223 5.4448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8514 -0.9406 6.6390 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6576 -1.8173 6.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8227 -2.8012 5.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5109 -3.5911 5.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6117 -4.6542 4.1496 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0654 -4.7299 3.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 -3.7436 2.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6217 -3.1467 1.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -4.2304 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0943 -3.6232 -1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0117 -4.6532 -2.2110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9187 -5.7854 -1.8915 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3341 -5.4185 -1.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0163 -4.7633 -2.8124 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 -4.2249 -6.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2355 -5.6394 -7.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0226 -4.0290 -7.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5394 -5.8425 -5.5964 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8529 -5.5410 -5.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1474 -3.3909 -5.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3032 -2.3144 -3.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6884 -3.1567 -3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3879 -4.7420 -3.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8175 -4.6698 -1.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9019 -3.4646 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0696 -2.0399 -1.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -2.5752 -0.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2664 -1.0828 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5168 0.9778 0.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9161 1.1671 -2.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3186 1.6808 -1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1614 -0.9337 -3.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0616 -0.7148 -4.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 0.3862 -3.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5404 1.5059 -2.3126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0323 2.3838 -4.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9622 2.8023 -5.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1421 1.0695 -3.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6724 0.6921 -5.1171 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0081 3.2973 -3.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1232 3.4696 -4.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0203 1.0730 -6.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0472 2.3868 -6.8315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 0.4017 -6.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8722 1.8433 -5.6825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8034 -1.2283 -2.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1194 -1.9119 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2809 -0.2167 -1.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8406 1.5255 -1.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6917 1.4611 -3.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7355 3.5403 -0.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 4.5936 -0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 4.8319 1.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1462 4.5121 2.0881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5538 2.1634 2.5560 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5753 3.3016 3.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 1.5167 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2282 1.5521 2.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3323 3.7194 0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0423 3.6546 2.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8419 1.2943 2.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4476 1.3841 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8844 1.7950 0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0282 3.2035 0.1955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7113 3.7671 1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0859 4.3888 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 2.1572 3.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5046 1.8396 3.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2962 2.5131 5.5049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4294 3.4367 4.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0917 4.6616 6.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6108 4.1326 5.6065 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 5.8406 3.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8712 6.4256 5.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 7.6126 3.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0735 7.1944 5.1034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 6.1034 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0226 5.3307 3.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1802 6.9992 2.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2123 -0.7343 1.8921 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2940 -2.2899 1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5407 -3.2269 2.5622 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0880 -2.8114 3.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5450 -1.1792 3.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9862 -2.3599 4.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3693 0.2876 3.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2075 -0.8107 4.7641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2844 1.0322 5.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 -0.5003 6.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0578 1.5536 6.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2403 1.5311 4.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1477 0.7227 5.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9033 -0.4859 4.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6261 -0.2870 7.5228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7602 -1.5032 6.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4042 -2.4042 7.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7416 -1.2272 6.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0819 -2.2967 4.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6277 -3.5284 5.5292 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2810 -4.0169 6.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2398 -2.8336 4.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -5.4683 4.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1205 -5.6187 2.4051 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2495 -2.9194 3.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0024 -4.2709 2.3829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3731 -2.6659 1.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3231 -2.3449 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -4.5930 0.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0199 -5.0921 0.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8481 -3.0558 -0.9682 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8550 -2.8791 -1.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2386 -4.1234 -3.1411 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0241 -5.0815 -2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5059 -6.3363 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8650 -6.5004 -2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4485 -4.7805 -0.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9057 -6.3395 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6615 -5.5000 -3.3811 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 -4.3361 -3.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 -4.0290 -2.4154 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 26 45 1 0 45 46 1 0 46 47 2 0 46 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 2 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 4 75 1 0 5 76 1 0 5 77 1 0 6 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 13 87 1 0 14 88 1 0 14 89 1 0 15 90 1 0 16 91 1 0 17 92 1 0 17 93 1 0 18 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 1 27103 1 0 27104 1 0 31105 1 0 31106 1 0 32107 1 0 32108 1 0 33109 1 0 33110 1 0 34111 1 0 34112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 37117 1 0 37118 1 0 38119 1 0 38120 1 0 39121 1 0 39122 1 0 40123 1 0 40124 1 0 41125 1 0 41126 1 0 42127 1 0 42128 1 0 43129 1 0 43130 1 0 44131 1 0 44132 1 0 44133 1 0 48134 1 0 48135 1 0 49136 1 0 49137 1 0 50138 1 0 50139 1 0 51140 1 0 51141 1 0 52142 1 0 52143 1 0 53144 1 0 53145 1 0 54146 1 0 54147 1 0 55148 1 0 55149 1 0 56150 1 0 56151 1 0 57152 1 0 57153 1 0 58154 1 0 58155 1 0 59156 1 0 60157 1 0 61158 1 0 61159 1 0 62160 1 0 62161 1 0 63162 1 0 63163 1 0 64164 1 0 64165 1 0 65166 1 0 65167 1 0 66168 1 0 66169 1 0 67170 1 0 67171 1 0 68172 1 0 68173 1 0 68174 1 0 M END