HMDB0286544 RDKit 3D PC(PGE2/18:2(9Z,12Z)) 139139 0 0 0 0 0 0 0 0999 V2000 13.9238 -2.5967 0.9374 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9960 -2.3116 2.1321 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9767 -3.4168 2.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0357 -3.2328 3.3312 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2624 -1.9434 3.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3197 -1.7395 4.3037 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0414 -1.6432 4.1518 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2939 -1.7199 2.8634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3538 -2.8612 2.9999 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3844 -3.9053 2.2059 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3020 -4.1357 1.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5740 -4.3515 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7725 -3.2685 -0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 -2.6463 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8538 -1.6723 -0.8553 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7422 -0.6372 -1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9309 0.3138 -2.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9210 1.0629 -1.5503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 1.0683 -0.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9119 1.7911 -2.1590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 2.5422 -1.5711 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4766 2.0191 -1.8538 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7551 0.7513 -1.3635 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 0.5300 -0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4991 1.4856 0.7502 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0462 -0.7821 0.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5380 -0.7983 0.8672 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3593 -0.6627 -0.4526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 -1.8527 -1.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 -2.7604 -1.6807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2852 -2.9336 -1.6342 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2379 -1.9350 -1.1447 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2304 -0.6854 -2.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4091 -0.2896 -2.7920 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4964 0.0258 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4684 -1.0838 -1.2473 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.6152 -1.1099 -1.9805 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6922 -2.3883 -1.4844 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1565 -3.4473 -0.5691 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2439 -3.3536 0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6645 -4.4463 1.0986 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5693 -5.2402 1.4838 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2755 -3.9011 2.3763 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4808 -3.0676 2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0696 -2.5330 3.4060 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4751 -3.6258 4.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5206 -4.5273 3.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9396 3.9648 -2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 4.0168 -3.4546 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7479 5.6054 -3.9788 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.7028 6.0543 -4.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5597 5.7129 -5.4643 O 0 0 0 0 0 1 0 0 0 0 0 0 1.4537 6.6740 -2.8997 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8413 7.9318 -3.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4253 8.9569 -2.1648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7875 10.2183 -2.3985 N 0 0 0 0 0 4 0 0 0 0 0 0 1.5977 11.3579 -1.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4510 10.2477 -1.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5036 10.3596 -3.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8643 -2.0090 1.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0914 -3.6826 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3744 -2.2085 0.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5637 -1.3097 2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5966 -2.3154 3.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4833 -4.4227 2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3823 -3.3570 1.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3529 -4.1054 3.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6562 -3.1864 4.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8199 -1.8397 2.1903 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0489 -1.1271 3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7447 -1.6678 5.3078 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4213 -1.4910 5.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7000 -0.7417 2.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8943 -1.7204 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5904 -2.8343 3.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6131 -4.7101 2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8322 -5.1193 1.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0875 -3.3536 0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3781 -4.6583 -0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9672 -5.3064 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3092 -3.6402 -1.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4817 -2.4530 -1.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1680 -1.9291 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9937 -3.3136 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1183 -1.2321 -0.1698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2948 -2.2362 -1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3174 -0.0593 -0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 -1.1020 -2.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6245 0.9764 -2.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4125 -0.3137 -3.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0909 2.5749 -0.4703 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7117 2.1462 -2.9267 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1689 2.7396 -1.3223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4831 -0.8416 1.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7485 -1.6357 -0.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7775 -1.7296 1.3794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7511 0.0764 1.5204 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9534 0.2548 -0.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3583 -0.4675 -0.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9798 -2.0154 -1.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3256 -3.6185 -2.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5581 -3.9662 -1.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6038 -3.1627 -2.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1920 -1.7095 -0.0823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2707 0.6941 -0.8142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9147 0.5908 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6098 -0.9906 -0.1341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7504 -2.0029 -2.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6747 -2.6712 -2.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5819 -4.3782 -0.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8461 -2.4329 0.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4159 -5.0805 0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7957 -5.6735 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4892 -4.7225 3.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4781 -3.2836 2.8545 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2470 -3.6632 1.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2358 -2.1830 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9606 -1.9183 3.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2819 -1.9380 3.8859 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6104 -4.2144 4.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8996 -3.1525 5.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1431 -3.8929 3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0829 -5.3208 3.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1891 -4.9296 4.5186 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9273 4.4327 -1.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1744 4.5421 -1.5220 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1165 8.2021 -4.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2394 7.8140 -3.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3405 8.6218 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 9.0770 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9969 12.2596 -2.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7624 11.3733 -0.9056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5389 11.4214 -2.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8726 9.2303 -1.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2686 10.7524 -0.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 10.8581 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3144 9.6352 -4.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 10.2054 -4.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1047 11.3779 -4.0350 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 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 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 2 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 41 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 21 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 38 32 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 21 91 1 1 22 92 1 0 22 93 1 0 26 94 1 0 26 95 1 0 27 96 1 0 27 97 1 0 28 98 1 0 28 99 1 0 29100 1 0 30101 1 0 31102 1 0 31103 1 0 32104 1 1 35105 1 0 35106 1 0 36107 1 1 37108 1 0 38109 1 6 39110 1 0 40111 1 0 41112 1 6 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 47122 1 0 47123 1 0 47124 1 0 48125 1 0 48126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 57131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 59139 1 0 M CHG 2 52 -1 56 1 M END