HMDB0287693 RDKit 3D PC(20:5(5Z,8Z,11Z,14Z,17Z)/LTE4) 149148 0 0 0 0 0 0 0 0999 V2000 1.1008 -5.5676 5.1577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9111 -4.2414 4.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1502 -3.2572 5.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9646 -2.7340 4.8083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6764 -3.0448 3.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6817 -1.7801 2.7689 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1742 -1.5472 1.5673 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 -2.6221 0.8298 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9793 -3.0618 -0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9344 -2.6293 -1.1600 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9324 -1.5320 -0.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7150 -0.5442 -2.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6072 -0.2924 -2.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 -0.9080 -3.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9951 0.0770 -3.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9923 0.4080 -2.5817 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3847 -0.1526 -1.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6127 1.1324 -0.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4190 1.9707 -0.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3872 1.4902 0.6755 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6054 0.5388 1.4421 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1386 2.1141 0.7125 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1849 1.7281 1.6731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8567 2.3344 1.4107 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0881 2.4002 2.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0911 3.0918 2.6540 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9242 3.2206 4.1039 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8402 4.6955 4.5132 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 2.8044 3.9625 O 0 0 0 0 0 1 0 0 0 0 0 0 0.1956 2.2647 5.2924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1263 1.4906 5.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 0.6391 7.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0372 1.3635 8.0985 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.9984 0.5697 8.8258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6538 2.6175 7.6953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0466 1.7021 9.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0357 3.7300 1.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 4.0786 -0.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6709 3.1810 -0.6980 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 5.3972 -0.7327 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3591 6.2170 -0.0612 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0181 6.1214 -0.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4284 5.2279 -0.8848 S 0 0 0 0 0 0 0 0 0 0 0 0 1.6815 4.8547 -2.5911 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0020 4.2206 -2.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 2.9219 -2.6641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5023 2.3617 -2.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7896 1.0768 -2.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1824 0.6887 -2.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5880 -0.5368 -2.9221 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7528 -1.7371 -2.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -2.6060 -3.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9494 -3.0387 -4.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 -2.8200 -4.4338 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8087 -4.1753 -4.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3119 -5.0340 -3.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1538 -4.4736 -1.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7014 -5.4700 -0.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 6.1118 -3.4478 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5280 7.0427 -3.0487 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9320 5.7572 -4.8907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0052 4.7107 -5.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4486 4.4221 -6.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5757 3.3929 -7.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3656 2.9394 -6.7956 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 2.9867 -8.7752 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1653 -6.1141 5.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 -6.1115 4.5451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5479 -5.3618 6.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6558 -4.3896 3.3935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9820 -3.8122 4.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5641 -2.9428 6.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4349 -1.9908 5.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2434 -3.9185 3.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7181 -3.3309 3.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1626 -0.9002 3.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -0.5037 1.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4136 -3.5469 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -2.3562 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3657 -3.9264 -0.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0893 -3.1511 -2.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9092 -2.0202 -1.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9508 -1.0536 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 -0.0127 -2.0514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3406 0.4653 -3.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1573 -1.5065 -2.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9996 -1.6259 -3.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8559 0.6250 -4.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7142 1.2059 -2.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6061 -0.7415 -0.7701 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3443 -0.6802 -1.3044 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0888 0.8345 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4127 1.7482 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9712 2.1191 -1.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7332 2.9996 0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5514 2.1469 2.6468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1586 0.6127 1.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2525 1.7959 0.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 2.8182 3.5376 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8813 1.3429 3.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9773 2.1078 6.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6049 0.8037 5.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1709 -0.1037 6.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 0.0109 7.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8020 0.1780 8.1628 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4590 -0.3068 9.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3655 1.1712 9.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 3.3585 7.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0755 3.0778 8.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5264 2.4166 7.0469 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4615 0.7586 9.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6711 2.3545 9.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8600 2.2502 8.5357 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 5.4120 -1.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2247 6.0680 0.9613 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 5.8969 -0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0815 7.1670 -0.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0052 6.2406 0.7126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 4.1651 -2.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 4.8292 -2.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3619 2.2302 -2.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 3.0707 -3.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0281 0.3657 -2.5498 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9285 1.4799 -3.1906 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6773 -0.6899 -3.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 -1.4611 -2.5166 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1966 -2.2423 -1.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9577 -2.8773 -4.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -3.6496 -5.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1127 -2.2251 -5.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3166 -2.3237 -3.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -3.9546 -4.1283 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8738 -4.6922 -5.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7498 -6.0084 -3.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3927 -5.3000 -3.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7004 -3.5397 -1.7559 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0687 -4.2848 -1.6121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 -6.3561 -1.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8964 -5.8078 -0.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4653 -4.9556 -0.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 6.4767 -3.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3243 7.9553 -3.3623 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 6.6893 -5.4944 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9686 5.4121 -4.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0887 3.7483 -4.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0408 5.0872 -5.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4608 5.3739 -7.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4943 4.0376 -6.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 2.1588 -9.0025 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 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 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 44 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 2 0 64 66 1 0 1 67 1 0 1 68 1 0 1 69 1 0 2 70 1 0 2 71 1 0 3 72 1 0 4 73 1 0 5 74 1 0 5 75 1 0 6 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 10 81 1 0 11 82 1 0 11 83 1 0 12 84 1 0 13 85 1 0 14 86 1 0 14 87 1 0 15 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 23 96 1 0 23 97 1 0 24 98 1 6 25 99 1 0 25100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 34105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 36113 1 0 40114 1 6 41115 1 0 41116 1 0 42117 1 0 42118 1 0 44119 1 6 45120 1 0 46121 1 0 47122 1 0 48123 1 0 49124 1 0 50125 1 0 51126 1 0 51127 1 0 52128 1 0 53129 1 0 54130 1 0 54131 1 0 55132 1 0 55133 1 0 56134 1 0 56135 1 0 57136 1 0 57137 1 0 58138 1 0 58139 1 0 58140 1 0 59141 1 6 60142 1 0 61143 1 0 61144 1 0 62145 1 0 62146 1 0 63147 1 0 63148 1 0 66149 1 0 M CHG 2 29 -1 33 1 M END