HMDB0287484 RDKit 3D PC(PGJ2/20:4(5Z,8Z,11Z,14Z)) 138138 0 0 0 0 0 0 0 0999 V2000 -6.6432 1.9325 4.3706 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5331 2.3334 3.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9461 1.1669 2.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7527 0.5015 1.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1198 -0.6809 0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9669 -0.3802 -0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6446 -0.6306 -1.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3256 -1.2657 -1.9043 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6074 -2.5778 -2.4814 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3036 -3.0257 -3.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5487 -2.2178 -4.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2860 -2.9764 -4.8447 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 -2.4463 -4.7262 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9255 -0.9992 -4.4087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 -0.5336 -5.5404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8497 0.0547 -5.3078 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3337 0.3364 -3.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0628 1.8501 -3.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2301 2.3906 -2.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3019 1.8172 -1.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3292 2.4702 -1.5272 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1933 0.5238 -1.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1381 -0.0814 -0.4513 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9443 -1.1822 -1.0641 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -0.7001 -2.1083 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 -1.5485 -2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 -2.7629 -2.4665 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5001 -1.0296 -3.8408 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4489 0.4355 -4.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7944 1.2935 -2.8819 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1187 1.0254 -2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3399 0.6653 -1.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2826 0.4815 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5714 1.4383 1.1198 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5864 2.8006 0.5080 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 3.6263 1.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4988 2.9342 2.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2482 3.3995 3.6194 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3956 1.5076 2.0406 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3174 0.5342 3.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1518 -0.4375 3.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8783 -1.3466 4.5870 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0858 -0.5716 5.7356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -1.9081 4.5298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2927 -2.8192 5.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8777 -3.4108 5.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7380 -4.2855 6.9364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3663 -4.9271 6.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5278 -0.4912 0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0040 0.6192 1.5364 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 0.2410 2.9954 P 0 0 0 0 0 5 0 0 0 0 0 0 1.2488 0.2826 4.1024 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3511 -1.3355 2.8878 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.0009 1.3695 3.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4420 1.9021 1.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 2.8706 2.2816 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0658 3.4691 1.0611 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2611 2.4870 0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 4.4280 0.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3236 4.1536 1.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5763 2.2437 4.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9531 2.5456 5.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6895 0.8541 4.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4315 2.8970 3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9627 3.0594 2.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6731 1.5515 1.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4398 0.4360 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1827 1.2793 1.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0912 0.1570 2.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8012 -1.3059 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2644 -1.3327 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9448 0.0871 -0.1050 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3322 -0.3818 -2.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7653 -0.5696 -2.5739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6782 -1.4145 -1.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1708 -3.2668 -1.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5961 -4.0823 -3.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1932 -2.2662 -5.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4686 -1.1942 -4.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 -4.0592 -5.0996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1707 -3.0075 -4.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4237 -0.8369 -3.4753 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7940 -0.3662 -4.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3009 -0.6826 -6.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 0.3519 -6.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6940 -0.1494 -3.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8922 0.0296 -3.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9787 2.3228 -4.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7308 2.0729 -4.6799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5078 3.4930 -2.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 2.4822 -2.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9086 0.7304 -0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 -1.9386 -1.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -1.7074 -0.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1642 -1.5233 -4.8033 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5480 -1.4006 -3.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4251 0.7516 -4.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2063 0.6815 -4.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8760 2.3473 -3.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9758 1.3464 -2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9876 1.1253 -2.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3972 0.4868 -0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2836 0.7403 -0.3869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3138 -0.5712 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5380 1.2713 1.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0305 3.0803 -0.4534 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8518 4.6946 1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4816 1.4974 1.3868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 0.6238 3.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0212 -0.5543 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6611 -2.1241 4.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3371 0.0604 5.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 -1.0668 4.6364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3019 -2.5263 3.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0275 -3.6406 5.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -2.2681 6.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1681 -2.5885 5.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7746 -4.0201 4.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5085 -5.0887 6.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 -3.6620 7.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5883 -4.2741 6.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3449 -5.8742 6.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -5.1944 8.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3288 -0.9295 1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7010 -1.1949 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8850 1.0429 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 2.3148 1.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 2.2858 2.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 3.6425 2.9529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2941 2.0322 -0.3086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6302 3.0458 -0.8616 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0026 1.7170 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2432 4.5420 1.3409 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5412 5.4227 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 4.0487 -0.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4848 4.4888 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1950 3.5512 0.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3109 5.0715 0.6228 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 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 39 34 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 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 23 92 1 1 24 93 1 0 24 94 1 0 28 95 1 0 28 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 1 35106 1 0 36107 1 0 39108 1 6 40109 1 0 41110 1 0 42111 1 1 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 53 -1 57 1 M END