HMDB0286299 RDKit 3D PC(18:0/PGE1) 145145 0 0 0 0 0 0 0 0999 V2000 -6.7817 -0.0152 1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4161 -0.1408 -0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1471 1.0791 -1.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6544 1.3015 -1.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4357 2.5280 -2.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9801 3.7754 -1.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4104 4.1657 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9171 4.4249 -0.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3954 4.8228 1.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 3.7767 2.2374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8864 2.4840 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1850 1.5138 3.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 0.2328 2.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6693 -0.8469 3.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8510 -2.0560 3.2718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9942 -3.2131 4.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2074 -4.4166 3.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5674 -4.9754 2.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 -4.4393 1.8221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8916 -6.0687 1.9636 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -6.6807 0.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7889 -5.8094 -0.4499 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6977 -5.4224 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4686 -6.5957 -0.3852 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0956 -6.1440 -0.3626 P 0 0 0 0 0 5 0 0 0 0 0 0 3.9193 -7.4295 -0.3724 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4504 -5.2370 1.0063 O 0 0 0 0 0 1 0 0 0 0 0 0 3.4957 -5.2987 -1.7769 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9809 -6.1182 -2.7686 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3009 -5.2632 -3.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2804 -4.2544 -3.7076 N 0 0 0 0 0 4 0 0 0 0 0 0 5.9457 -3.8873 -4.9484 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2850 -4.7354 -2.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6745 -3.0235 -3.2071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 -4.6496 -0.4879 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3064 -4.3107 -1.5808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -5.0642 -2.5782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -3.0540 -1.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2217 -1.8730 -2.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0418 -1.7299 -1.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1241 -0.6001 -1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9864 -0.6151 -0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9247 0.4947 -0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0787 0.6717 0.2443 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9440 -0.5190 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6513 -1.6521 0.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 -0.0377 0.6628 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3837 1.2650 -0.1030 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0187 0.9920 -1.3151 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 1.7561 -0.3004 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7425 3.0965 0.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8733 3.4967 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7338 4.9000 1.6024 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3768 5.2151 1.6471 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2768 5.0783 3.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0822 6.5371 3.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5977 6.8266 4.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3651 8.2957 5.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1058 9.1472 4.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7704 1.0507 1.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7202 -0.3258 1.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3399 -0.6452 1.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5181 -0.1860 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0610 -1.0634 -0.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6017 0.9341 -1.9904 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5318 1.9612 -0.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 1.3212 -0.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2841 0.4189 -1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3876 2.6230 -2.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0308 2.3554 -3.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0739 3.7190 -1.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7190 4.6081 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 3.4391 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9005 5.1181 0.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7351 5.2769 -0.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4310 3.5458 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3288 5.0847 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9503 5.7306 1.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1189 4.1717 3.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6655 3.6184 2.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8045 2.6661 1.8632 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 2.0030 0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2717 1.3549 3.1666 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7736 1.9803 3.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 -0.1529 1.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3887 0.4901 2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3135 -0.5721 4.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7442 -1.1143 3.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 -1.6929 3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2157 -2.2440 2.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0625 -3.4980 4.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6294 -2.8739 5.1984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1032 -4.2033 3.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3120 -5.2460 4.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 -6.9890 0.7246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5457 -7.6433 0.6983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9460 -6.3961 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9324 -4.8825 -1.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9064 -4.7870 0.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8468 -6.6738 -2.3815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2211 -6.8849 -3.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6649 -5.8837 -4.8277 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3423 -4.7988 -4.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 -3.1842 -5.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2304 -4.7804 -5.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8834 -3.3506 -4.6662 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0182 -3.9081 -2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8352 -5.5669 -3.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -5.0075 -1.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 -3.1374 -2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9170 -2.6810 -3.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4901 -2.2583 -3.2279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9709 -3.1034 -2.2105 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 -2.9129 -0.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8529 -0.9874 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8793 -2.0758 -3.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3941 -1.6344 -0.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -2.6653 -1.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 -0.7873 -2.4317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6451 0.3897 -1.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4910 -0.3752 0.6095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4343 -1.6049 -0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3870 1.4700 -0.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3651 0.2958 -1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7838 0.8524 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0647 -0.7620 0.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2834 0.1490 1.7660 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0163 2.0116 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8634 1.7510 -1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8095 1.8155 -1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3979 3.8822 -0.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2062 2.7622 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3084 5.6127 0.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9027 4.4127 1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3676 4.8806 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7188 4.4183 3.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 7.2167 2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9975 6.8156 3.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 6.2512 5.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6978 6.6700 4.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6309 8.5720 6.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 8.5603 4.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 9.2226 3.0848 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1163 8.7441 3.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2043 10.1888 4.4085 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 22 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 1 0 48 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 50 44 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 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 9 78 1 0 10 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 21 95 1 0 21 96 1 0 22 97 1 6 23 98 1 0 23 99 1 0 29100 1 0 29101 1 0 30102 1 0 30103 1 0 32104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 33109 1 0 34110 1 0 34111 1 0 34112 1 0 38113 1 0 38114 1 0 39115 1 0 39116 1 0 40117 1 0 40118 1 0 41119 1 0 41120 1 0 42121 1 0 42122 1 0 43123 1 0 43124 1 0 44125 1 1 47126 1 0 47127 1 0 48128 1 1 49129 1 0 50130 1 6 51131 1 0 52132 1 0 53133 1 6 54134 1 0 55135 1 0 55136 1 0 56137 1 0 56138 1 0 57139 1 0 57140 1 0 58141 1 0 58142 1 0 59143 1 0 59144 1 0 59145 1 0 M CHG 2 27 -1 31 1 M END