HMDB0008615 RDKit 3D PC(22:2(13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -10.4047 -4.6610 -1.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0003 -4.4448 -1.3490 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1414 -3.5018 -0.2645 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5504 -2.3501 -0.1644 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6104 -1.8327 -1.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3368 -1.5877 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7972 -0.4214 -0.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5094 0.7754 -1.0595 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7489 1.6639 0.0877 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3426 2.8627 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5659 3.6584 -0.6862 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1267 3.2652 -1.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 3.1297 -2.3172 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 3.3529 -1.4213 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8014 4.4006 -1.9317 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4802 5.4897 -1.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9439 5.8671 0.0746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7844 5.9731 1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1827 6.9991 0.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 7.1188 1.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 5.8226 1.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2909 5.8842 2.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6206 6.9525 3.1221 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0448 4.7764 2.7951 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1903 4.6466 3.5952 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4156 4.3394 2.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2725 3.1702 2.0663 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3934 1.8649 2.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7506 1.5622 3.5679 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0923 0.7556 1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4867 1.4540 0.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9918 0.6015 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4225 1.4983 -1.9866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8376 0.6771 -3.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7719 -0.2723 -3.7776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -1.0179 -4.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8481 -1.9776 -5.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0180 -2.7008 -6.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8419 -3.4366 -6.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 -4.6111 -5.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 -4.4835 -3.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0440 -4.6361 -2.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6194 -4.9741 -2.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4625 -6.2723 -1.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8464 -6.3052 -0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2589 -5.1767 -0.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1952 -5.3230 0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1438 -5.4922 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1761 -4.3378 -1.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5463 -3.0383 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8721 3.7982 4.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 2.5802 4.4708 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9442 1.6335 5.8113 P 0 0 0 0 0 5 0 0 0 0 0 0 4.3106 0.1764 5.5137 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 2.1646 7.1902 O 0 0 0 0 0 1 0 0 0 0 0 0 2.2824 1.6998 6.0762 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7562 0.4316 6.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2722 0.3662 6.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5191 1.0653 5.3225 N 0 0 0 0 0 4 0 0 0 0 0 0 -1.9170 0.8447 5.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3422 0.5454 3.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3110 2.4879 5.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4618 -5.6397 -2.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5029 -3.8683 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1895 -4.4700 -1.2261 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3565 -4.2345 -2.1842 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7798 -5.4730 -0.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8162 -3.7640 0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7064 -1.6753 0.7065 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3876 -2.7278 -1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0373 -1.1119 -1.8628 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8158 -2.4352 -0.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8589 -0.1796 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8156 1.0948 -1.8269 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5105 0.5231 -1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3579 1.1999 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6251 3.4019 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7574 4.2565 -0.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2783 4.5826 -0.9067 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8778 3.0961 -2.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6321 2.8213 -3.3566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 2.4016 -1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9884 3.4935 -0.3662 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3869 4.2208 -2.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8094 6.1796 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 5.2440 0.4965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3521 6.9218 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2114 6.1731 2.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3301 4.9349 1.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3079 7.9912 0.6115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5134 6.8011 -0.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0492 7.8682 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 7.5142 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4020 5.3728 0.7127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3968 5.0862 2.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3935 5.7031 4.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2987 4.1877 3.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7122 5.2057 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0108 0.2106 1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4087 0.0900 1.9329 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1878 2.2313 -0.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 2.0502 0.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8246 0.0225 -1.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1720 -0.0537 -0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6772 2.1982 -1.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2350 2.1572 -2.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9332 0.1174 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4349 1.3921 -3.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2473 -1.0114 -3.0945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5663 0.2971 -4.2843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6207 -0.2455 -5.5655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1198 -1.5062 -4.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4825 -2.6056 -4.9978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5440 -1.3040 -6.2122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 -1.8858 -7.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -3.3196 -7.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -3.7725 -7.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1401 -2.6471 -5.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9715 -5.1628 -5.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6159 -5.3701 -5.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -4.2696 -3.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6829 -4.5041 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0764 -4.1347 -2.1567 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1529 -5.1486 -3.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8810 -7.1979 -2.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7706 -7.3138 -0.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8526 -5.1073 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 -4.1747 -0.4367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2547 -6.2389 0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5482 -4.5079 1.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0588 -6.4709 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2015 -5.5269 -0.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9179 -4.5905 -2.5689 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2258 -4.2000 -2.2973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6221 -2.5552 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 -2.3855 -1.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2437 -3.2702 -0.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 4.3940 5.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8031 3.5537 5.3642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9896 -0.1250 5.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2344 -0.1564 6.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -0.7160 6.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0425 0.6922 7.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5319 1.1036 4.7880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2169 1.5422 6.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1473 -0.2033 5.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0485 1.1005 3.3232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6783 0.7481 3.5889 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6172 -0.5253 3.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4805 2.7195 4.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0271 2.8799 6.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 3.0398 4.9716 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 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 2 0 28 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 2 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 25 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 59 60 1 0 59 61 1 0 59 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 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 20 92 1 0 20 93 1 0 21 94 1 0 21 95 1 0 25 96 1 1 26 97 1 0 26 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 0 45126 1 0 46127 1 0 46128 1 0 47129 1 0 47130 1 0 48131 1 0 48132 1 0 49133 1 0 49134 1 0 50135 1 0 50136 1 0 50137 1 0 51138 1 0 51139 1 0 57140 1 0 57141 1 0 58142 1 0 58143 1 0 60144 1 0 60145 1 0 60146 1 0 61147 1 0 61148 1 0 61149 1 0 62150 1 0 62151 1 0 62152 1 0 M CHG 2 55 -1 59 1 M END