HMDB0112898 RDKit 3D PS(24:0/20:4(5Z,8Z,11Z,14Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -0.8342 -0.7413 6.2903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3850 -0.7773 4.8599 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -0.5514 3.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 0.7858 4.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3434 0.9430 3.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8472 0.8806 1.7690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9360 1.8360 0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5908 3.1424 1.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6910 3.3763 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9387 3.4975 0.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4306 3.4128 1.9725 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3663 2.4438 2.4343 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9685 1.4820 1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8825 1.0625 0.4602 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4241 -0.3713 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3705 -0.8516 -0.1392 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4603 0.0018 -0.9224 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4115 -0.5013 -2.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5205 0.3455 -3.2447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1090 0.3854 -2.8364 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6926 -0.3492 -1.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2238 1.2482 -3.4507 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8614 1.3626 -3.1144 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6668 2.7152 -2.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6806 2.9935 -2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9764 4.1922 -1.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0413 4.9598 -1.3150 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2444 4.6809 -1.0118 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7399 4.1589 0.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8234 4.3583 1.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4215 3.8775 2.7495 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6308 4.6975 3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3274 4.4303 4.3448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9502 3.1536 4.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0074 2.5866 3.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7036 2.0328 2.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8391 0.7634 2.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 0.2565 1.2461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8431 -1.0790 1.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6230 -2.1014 1.8730 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1530 -3.4873 1.8327 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8991 -3.9747 2.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5880 -3.5655 1.8093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5325 -4.3468 2.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8519 -4.1082 2.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0707 -4.5670 0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 -4.3599 0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -4.8413 -1.1108 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1676 -4.6379 -1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 -5.1020 -2.8995 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1065 1.1024 -4.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3969 1.2748 -3.6489 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5717 0.9923 -4.8281 P 0 0 0 0 0 5 0 0 0 0 0 0 3.4249 2.2233 -5.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 0.4417 -6.2789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6114 -0.1943 -4.1916 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0439 -1.4388 -4.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -2.5472 -3.8982 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2364 -2.5357 -4.4998 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -3.8675 -4.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8882 -4.7706 -4.6696 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9899 -4.1330 -3.6114 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 0.2594 6.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3273 -1.5296 6.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9185 -0.9304 6.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3816 0.0031 4.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1104 -1.7437 4.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1755 -0.6851 2.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3229 -1.3285 4.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4344 1.5808 3.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6054 0.8858 5.1511 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0378 1.7342 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9399 -0.0149 3.2967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3473 -0.0365 1.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 1.7045 -0.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6827 3.3030 2.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7766 3.9079 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4611 3.4600 -0.8039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6789 3.7284 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9097 4.4447 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5156 3.4825 2.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6338 2.5372 3.5358 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6831 0.8370 2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9717 0.9633 0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4112 1.6607 -0.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0781 -1.0521 1.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1486 -1.9070 -0.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4346 -0.2046 -0.5171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 1.0563 -0.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4715 -0.4572 -2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0925 -1.5625 -2.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5483 -0.1379 -4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9375 1.3663 -3.4037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6854 0.6080 -2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8477 3.4929 -3.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4075 2.9316 -1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 4.4848 -1.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2408 5.8027 -0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7037 4.6696 0.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0139 3.0666 0.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8009 3.9488 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 5.4633 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6987 4.0085 3.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 2.8258 2.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3875 4.7663 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3033 5.8104 3.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0606 5.2890 4.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5486 4.6715 5.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4226 3.2927 5.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1219 2.4173 4.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7776 3.4104 3.6693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6204 1.8010 4.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6858 1.6751 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3161 2.7397 1.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4625 0.0086 3.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9478 0.9064 3.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0211 0.9541 0.6599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5913 0.0942 0.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8167 -0.8907 1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8279 -1.3122 0.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6721 -2.0733 1.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8001 -1.7726 2.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 -4.1657 2.3003 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1932 -3.8768 0.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8422 -3.7688 3.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9249 -5.1239 2.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3958 -2.4953 1.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4403 -3.8029 0.7485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8022 -5.4176 2.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6630 -3.9653 3.6653 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 -3.0125 2.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6056 -4.5750 2.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7643 -5.6278 0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4423 -4.0074 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1648 -4.9590 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -3.3077 0.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4678 -5.9258 -1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -4.3037 -1.8478 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8552 -5.1669 -0.7888 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3677 -3.5633 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1385 -4.4277 -3.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 -6.1295 -2.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4793 -5.1875 -3.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1017 0.0216 -4.5328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0539 1.7985 -5.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0642 1.0853 -7.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0304 -1.5370 -4.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9371 -1.5777 -5.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0525 -2.3468 -2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9911 -2.4716 -3.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3796 -3.4621 -4.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6149 -5.0595 -3.5969 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 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 39 40 1 0 40 41 1 0 41 42 1 0 42 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 2 0 60 62 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 1 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 41124 1 0 42125 1 0 42126 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 50143 1 0 51144 1 0 51145 1 0 55146 1 0 57147 1 0 57148 1 0 58149 1 1 59150 1 0 59151 1 0 62152 1 0 M END