HMDB0287996 RDKit 3D PC(PGE2/22:2(13Z,16Z)) 151151 0 0 0 0 0 0 0 0999 V2000 -2.0437 -1.8622 -11.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9733 -2.0423 -10.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8283 -0.9144 -9.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0501 -0.6712 -8.5235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8839 0.4743 -7.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5833 1.7432 -8.1757 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5291 2.5009 -7.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5497 2.1274 -7.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5644 3.1917 -6.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5513 4.0027 -5.7011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8327 3.9586 -6.3826 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0498 3.6257 -5.6082 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4561 4.4369 -4.4542 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 4.4661 -3.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3536 3.1136 -2.6637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 3.0968 -1.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0120 3.5129 -1.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0030 3.4471 -0.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0825 2.0184 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4329 1.0309 -1.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5304 -0.3838 -0.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5900 -0.6569 0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3719 0.2661 0.4468 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7454 -1.9044 0.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7234 -2.2218 1.6368 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1634 -2.4389 2.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 -3.4094 3.1860 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0540 -3.4540 2.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4043 -2.4805 1.9034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0379 -4.5579 2.9212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 -4.2814 4.2179 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4763 -2.9103 4.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2457 -2.5929 5.3122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -1.5920 6.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9651 -0.6571 5.9549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.7786 5.7433 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8822 1.4375 5.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2054 1.4060 4.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5249 2.1069 6.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6455 1.8058 7.8031 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4047 0.7321 8.6088 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 1.5838 6.8290 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1519 2.9823 6.3818 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9522 3.4670 5.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2956 4.8735 4.7887 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5989 4.9035 3.4430 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0775 5.7623 5.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8991 5.2650 4.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2769 6.1535 4.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4943 5.7317 3.6604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9086 4.3012 4.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6670 -3.3087 1.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 -4.4692 0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9562 -5.7163 0.3988 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.0375 -5.7231 -1.1182 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5249 -5.4285 0.9803 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.4822 -7.2353 0.9038 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 -7.9771 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5232 -9.3288 0.4005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5847 -9.3092 1.4981 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.2316 -9.0057 1.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0068 -8.4628 2.5868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5664 -10.6836 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6377 -1.4368 -12.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5088 -2.8733 -11.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8696 -1.2448 -10.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0304 -2.1715 -10.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1480 -3.0143 -9.7941 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -1.2465 -8.6209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4712 -0.0402 -9.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4258 -1.5479 -7.9877 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8602 -0.2988 -9.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9315 0.5236 -7.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2178 0.1457 -6.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 2.1134 -8.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4295 3.4247 -8.5500 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 1.1369 -6.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5028 2.0225 -7.5686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3792 3.3220 -5.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3069 4.7321 -4.9136 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9840 4.9828 -6.9184 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7981 3.2681 -7.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9115 3.6730 -6.3554 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0002 2.5247 -5.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5649 5.4979 -4.8020 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4984 4.1845 -4.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2113 5.0245 -2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 5.0460 -3.2770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3391 2.7615 -2.2240 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1216 2.3294 -3.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7717 3.8724 -0.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 2.1362 -0.9769 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0397 4.5920 -2.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5797 2.9763 -2.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9845 3.7735 -1.1431 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3444 4.1138 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8607 1.7166 0.2528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8526 1.9986 0.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2984 1.0772 -2.1624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4076 1.3701 -1.7504 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5654 -1.0976 -1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4400 -0.6298 -0.3462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 -1.2526 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8488 -1.4266 3.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0370 -2.6939 3.6618 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5057 -5.5240 2.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 -4.6029 2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1570 -4.3652 5.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6094 -5.0360 4.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2210 -2.9786 3.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 -2.2275 3.7825 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0867 -3.3096 5.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7615 -1.5621 6.9903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -0.9844 5.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2831 -0.7662 6.8710 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7798 0.9498 4.7923 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4624 1.7380 7.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4130 3.2113 6.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9337 2.7057 8.4085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4653 0.7245 8.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7126 1.2163 7.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 3.6433 7.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5160 2.8563 4.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1412 5.2848 5.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 5.8450 3.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2881 6.7979 4.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7429 5.7530 6.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1222 5.2935 3.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6641 4.2294 4.5414 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5087 6.1315 5.5484 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0700 7.2073 4.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3718 6.3577 3.8832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3024 5.8078 2.5759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1133 4.2115 5.0947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1831 3.5601 3.6274 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8787 4.0842 3.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 -3.0042 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3179 -3.5558 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 -7.4414 -0.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6294 -8.1291 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1018 -10.0005 -0.3770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4476 -9.8404 0.7895 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3753 -9.9300 1.0060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1926 -8.5269 0.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2343 -8.3881 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -8.7970 3.5132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7232 -7.4069 2.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0857 -8.6167 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4227 -11.4203 1.2054 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4782 -10.8579 2.5977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6872 -10.7265 2.7014 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 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 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 1 0 60 63 1 0 42 36 1 0 1 64 1 0 1 65 1 0 1 66 1 0 2 67 1 0 2 68 1 0 3 69 1 0 3 70 1 0 4 71 1 0 4 72 1 0 5 73 1 0 5 74 1 0 6 75 1 0 7 76 1 0 8 77 1 0 8 78 1 0 9 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 18 95 1 0 18 96 1 0 19 97 1 0 19 98 1 0 20 99 1 0 20100 1 0 21101 1 0 21102 1 0 25103 1 1 26104 1 0 26105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 34113 1 0 35114 1 0 35115 1 0 36116 1 6 39117 1 0 39118 1 0 40119 1 1 41120 1 0 42121 1 1 43122 1 0 44123 1 0 45124 1 1 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 49130 1 0 49131 1 0 50132 1 0 50133 1 0 51134 1 0 51135 1 0 51136 1 0 52137 1 0 52138 1 0 58139 1 0 58140 1 0 59141 1 0 59142 1 0 61143 1 0 61144 1 0 61145 1 0 62146 1 0 62147 1 0 62148 1 0 63149 1 0 63150 1 0 63151 1 0 M CHG 2 56 -1 60 1 M END