HMDB0287787 RDKit 3D PC(22:0/PGE2) 155155 0 0 0 0 0 0 0 0999 V2000 5.3951 4.1804 3.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0276 3.9137 2.3615 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6382 2.5304 2.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2773 2.2631 1.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2957 2.3230 -0.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1664 1.3165 0.0103 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7020 -0.0815 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6861 -1.1606 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7388 -1.2418 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3925 -1.4705 2.4594 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4290 -1.6507 3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4674 -0.5442 3.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0890 0.7198 4.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 1.8358 4.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1228 1.7465 5.5950 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 0.8333 5.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9135 1.0642 4.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5056 2.4101 4.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3921 2.7556 3.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9556 2.9232 1.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 1.8127 1.1003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0311 2.2013 -0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0066 2.8412 -0.6123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8968 1.8814 -1.3708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6150 2.2733 -2.7123 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7319 1.7903 -3.5928 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4416 2.2326 -5.0337 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2462 1.6033 -5.3664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7550 1.9681 -6.9433 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.3727 3.4302 -6.9686 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9694 1.7018 -8.0655 O 0 0 0 0 0 1 0 0 0 0 0 0 0.6368 1.0815 -7.3523 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3475 -0.2668 -7.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5949 -1.0227 -7.8341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -0.9176 -6.8746 N 0 0 0 0 0 4 0 0 0 0 0 0 2.2535 -0.3068 -5.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7708 -0.1193 -7.3817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1890 -2.2367 -6.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9416 2.3709 -3.1381 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0431 1.5971 -2.7988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8849 0.3533 -2.9277 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3382 2.1046 -2.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1264 0.9949 -1.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6256 0.4411 -0.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 -0.0587 -0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9690 -1.3186 -0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9947 -2.3407 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9044 -2.9829 1.4688 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0572 -3.9735 1.6421 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1092 -3.8880 1.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6023 -5.0153 2.5959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1120 -4.7130 2.8124 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3910 -5.8964 2.8659 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7869 -3.9973 1.5124 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4520 -3.4829 1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -3.9024 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2355 -3.3802 0.3076 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3853 -3.8258 1.3307 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6452 -3.6727 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2925 -3.1128 -2.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7055 -3.5077 -2.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1344 -2.8211 -3.8296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5486 -3.2229 -4.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 3.4629 4.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2894 4.1509 3.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6244 5.2368 4.0587 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2278 4.0099 1.6165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8193 4.6514 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 1.7466 2.6291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4546 2.4901 3.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8641 1.3129 1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0482 3.0601 0.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8540 2.0824 -1.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8772 3.3528 -0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5303 1.5095 0.9019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5281 1.4819 -0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3934 -0.2463 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 -0.1929 -0.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0634 -1.1151 -0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2585 -2.1312 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -0.3078 1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0157 -2.0862 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1986 -0.7329 2.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9496 -2.4478 2.3510 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9652 -1.9977 4.4870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7913 -2.5474 3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9166 -0.9400 4.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7069 -0.3914 3.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7646 0.5322 5.1872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8038 1.1330 3.5014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7707 2.1794 3.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 2.7146 4.8561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6603 1.5016 6.5800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 2.8016 5.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7251 1.1570 6.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0832 -0.2227 5.6721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7810 0.3486 4.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4744 0.6622 3.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1354 2.4600 5.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7448 3.2221 4.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9881 3.7241 3.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 2.0213 3.1909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3260 3.8801 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8890 3.1918 1.2199 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2485 1.7224 1.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8104 0.8811 1.2271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6639 1.8503 -3.0638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5281 3.3948 -2.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7250 0.7024 -3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2289 3.3297 -5.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2788 1.9858 -5.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3387 -0.3692 -8.3695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1305 -0.6228 -6.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3367 -2.1096 -7.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9958 -0.6754 -8.8169 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3490 -0.7570 -5.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2207 0.7967 -5.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0932 -0.5497 -4.9021 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8857 -0.3468 -8.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6677 -0.4527 -6.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5464 0.9316 -7.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 -2.3148 -6.8016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0691 -2.4806 -5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 -3.0207 -7.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9193 2.6058 -3.1304 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2119 2.9108 -1.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1559 0.1101 -2.4129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2270 1.2753 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6616 1.3414 0.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4185 -0.2043 0.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4079 0.6534 -0.4216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9261 -1.5634 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7589 -3.1315 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0288 -2.0573 -0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8721 -2.2641 2.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1506 -4.9735 3.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6716 -5.9872 2.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9340 -4.1077 3.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3035 -6.2505 1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0557 -4.7454 0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0753 -2.7286 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9959 -4.6790 -0.2032 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -2.2503 0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 -4.6681 1.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6477 -4.8085 -1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4660 -3.4585 -1.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2216 -1.9928 -2.2842 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -3.4659 -3.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 -3.0693 -1.7604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 -4.5794 -2.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4506 -3.1910 -4.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9677 -1.7377 -3.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3136 -2.5630 -3.7023 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7360 -4.2356 -3.6488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7173 -3.2635 -5.2235 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 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 54 55 1 0 55 56 2 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 54 48 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 6 76 1 0 7 77 1 0 7 78 1 0 8 79 1 0 8 80 1 0 9 81 1 0 9 82 1 0 10 83 1 0 10 84 1 0 11 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 14 92 1 0 15 93 1 0 15 94 1 0 16 95 1 0 16 96 1 0 17 97 1 0 17 98 1 0 18 99 1 0 18100 1 0 19101 1 0 19102 1 0 20103 1 0 20104 1 0 21105 1 0 21106 1 0 25107 1 0 25108 1 0 26109 1 6 27110 1 0 27111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 36116 1 0 36117 1 0 36118 1 0 37119 1 0 37120 1 0 37121 1 0 38122 1 0 38123 1 0 38124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 1 51136 1 0 51137 1 0 52138 1 1 53139 1 0 54140 1 6 55141 1 0 56142 1 0 57143 1 1 58144 1 0 59145 1 0 59146 1 0 60147 1 0 60148 1 0 61149 1 0 61150 1 0 62151 1 0 62152 1 0 63153 1 0 63154 1 0 63155 1 0 M CHG 2 31 -1 35 1 M END