HMDB0288620 RDKit 3D PC(24:0/PGD2) 161161 0 0 0 0 0 0 0 0999 V2000 -6.7953 0.6286 11.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2493 -0.7134 10.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8443 -1.0046 11.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -0.3939 10.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 0.9966 10.4863 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1020 2.0441 9.7845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3734 1.9966 8.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2077 0.8955 7.8135 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3774 1.0375 6.2866 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2643 -0.1098 5.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4808 -0.0417 4.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1626 -0.1708 3.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 -1.5225 3.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2093 -1.5531 3.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5322 -2.8816 3.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2046 -2.8257 2.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5237 -4.1507 2.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8039 -4.0714 1.7543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7920 -3.1781 2.4637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0949 -3.0003 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 -2.1344 0.6809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 -2.0502 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 -1.4253 -0.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3692 -0.0348 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0080 0.1437 1.1940 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8502 1.0084 -0.7199 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9300 2.2808 -0.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5934 3.2377 -1.0660 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6371 3.4702 -2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2233 2.3174 -2.7986 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1298 2.6326 -4.0482 P 0 0 0 0 0 5 0 0 0 0 0 0 0.4423 1.6884 -5.1901 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3150 4.2141 -4.6038 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.4249 2.3040 -3.5282 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3137 2.2195 -4.5999 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6620 1.9125 -4.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7054 1.7897 -5.0382 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.8911 1.3005 -4.3298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3726 0.8148 -6.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0497 3.0361 -5.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8084 2.6235 -1.3706 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0531 3.0015 -0.9280 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1239 3.9943 -0.1672 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2743 2.2313 -1.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4661 2.5806 -0.5189 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6430 1.7454 -1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9350 2.1072 -2.4336 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8727 1.2851 -3.4523 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4986 -0.1098 -3.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2873 -0.5188 -4.1134 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3526 -0.3273 -5.6029 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9756 0.7915 -6.0540 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 -1.5483 -6.1775 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2168 -2.4431 -5.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0190 -3.3350 -4.8660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1826 -2.0551 -4.0103 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8912 -2.5143 -4.5566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 -3.1694 -3.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7223 -3.6333 -4.3877 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1028 -4.5812 -3.5942 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8018 -2.4625 -4.6504 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4868 -2.9226 -5.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 -3.6419 -6.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3181 -4.0849 -7.0950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5814 -2.9004 -7.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9924 1.1993 10.3652 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7756 0.5484 11.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1589 1.2299 11.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 -0.9613 9.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9582 -1.4616 11.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7416 -2.1527 11.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6977 -1.0246 12.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7380 -0.8881 11.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5928 -0.9161 9.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 1.4636 11.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2922 1.0450 10.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 2.9999 9.9450 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9720 2.4401 10.3867 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4467 2.1612 7.7144 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9648 2.9561 8.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2419 0.8453 8.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7504 -0.0737 7.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4292 0.9826 5.7551 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8381 2.0228 6.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2543 0.0448 6.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8663 -1.0681 6.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0857 -0.9356 4.0904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0435 0.8512 4.0895 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4852 0.6696 3.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4436 -0.1569 2.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -1.7221 4.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1765 -2.2987 3.4131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4091 -1.3070 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5537 -0.7358 3.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3874 -3.2266 4.2394 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 -3.6526 2.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3931 -2.5345 1.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6240 -2.0248 2.9319 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1634 -4.8703 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3840 -4.5153 3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 -3.9922 0.6715 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3068 -5.1301 1.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8818 -3.6080 3.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3464 -2.1616 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7999 -2.6465 2.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5859 -4.0492 1.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 -2.3108 0.3437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 -1.0539 1.1091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2325 -1.5653 -1.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4561 -3.1162 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 -1.9399 -0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 -1.3496 -1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6854 2.1413 0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 2.6383 0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7425 4.1917 -0.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7415 3.9937 -1.7114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0301 4.2335 -2.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 1.4440 -5.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3850 3.2022 -5.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6262 0.9368 -3.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9543 2.7056 -3.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1425 1.9452 -3.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7858 1.2999 -5.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7508 0.2564 -3.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9081 1.3203 -6.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 0.4066 -6.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8023 -0.0416 -5.6810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0177 2.9351 -6.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 3.8654 -5.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1055 3.3531 -5.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0815 1.1347 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4879 2.4602 -2.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3371 2.3841 0.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7367 3.6381 -0.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4879 2.0252 -0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 0.7110 -0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2354 3.1828 -2.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1409 1.7265 -4.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4146 -0.5408 -2.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -0.7403 -3.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3342 -0.1180 -3.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3063 -0.3484 -6.0382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3907 1.4076 -6.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4601 -2.0228 -6.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0497 -1.2649 -6.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3642 -2.4151 -3.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6250 -2.3144 -5.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2517 -3.3904 -2.7959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9379 -4.0969 -5.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 -4.1487 -3.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2401 -1.7824 -5.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6552 -1.8366 -3.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9684 -3.6277 -4.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8539 -2.0376 -5.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3063 -4.5372 -6.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0810 -2.9374 -7.3197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4572 -4.6468 -8.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 -4.7187 -6.3264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0379 -2.5631 -6.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3802 -3.1175 -8.0550 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0116 -2.0574 -7.7280 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 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 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 31 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 37 40 1 0 28 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 2 0 58 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 1 0 56 50 1 0 1 66 1 0 1 67 1 0 1 68 1 0 2 69 1 0 2 70 1 0 3 71 1 0 3 72 1 0 4 73 1 0 4 74 1 0 5 75 1 0 5 76 1 0 6 77 1 0 6 78 1 0 7 79 1 0 7 80 1 0 8 81 1 0 8 82 1 0 9 83 1 0 9 84 1 0 10 85 1 0 10 86 1 0 11 87 1 0 11 88 1 0 12 89 1 0 12 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 14 94 1 0 15 95 1 0 15 96 1 0 16 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 20105 1 0 20106 1 0 21107 1 0 21108 1 0 22109 1 0 22110 1 0 23111 1 0 23112 1 0 27113 1 0 27114 1 0 28115 1 1 29116 1 0 29117 1 0 35118 1 0 35119 1 0 36120 1 0 36121 1 0 38122 1 0 38123 1 0 38124 1 0 39125 1 0 39126 1 0 39127 1 0 40128 1 0 40129 1 0 40130 1 0 44131 1 0 44132 1 0 45133 1 0 45134 1 0 46135 1 0 46136 1 0 47137 1 0 48138 1 0 49139 1 0 49140 1 0 50141 1 1 51142 1 6 52143 1 0 53144 1 0 53145 1 0 56146 1 1 57147 1 0 58148 1 0 59149 1 6 60150 1 0 61151 1 0 61152 1 0 62153 1 0 62154 1 0 63155 1 0 63156 1 0 64157 1 0 64158 1 0 65159 1 0 65160 1 0 65161 1 0 M CHG 2 33 -1 37 1 M END