HMDB0287647 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/PGE1) 143143 0 0 0 0 0 0 0 0999 V2000 16.9569 4.3898 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4618 4.4815 0.0618 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1938 5.2234 0.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0571 4.7513 -0.3500 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9044 3.3822 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4159 3.3751 -2.2635 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3236 2.8361 -2.7121 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3877 2.1181 -1.8132 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0982 2.8263 -1.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4796 3.3799 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9362 3.4021 0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2388 2.7910 1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1605 2.1001 1.6044 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3160 1.7311 0.4913 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2429 0.1868 0.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6960 -0.3527 1.7176 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3452 0.1405 2.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 -0.2122 1.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0049 0.3799 1.5631 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8863 0.0801 0.6461 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8511 0.8162 0.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8626 -0.9004 -0.3112 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7586 -1.1378 -1.1435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -1.5547 -0.3121 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0730 -2.7346 0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 -2.9913 1.4646 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6714 -4.3030 2.4271 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.9148 -5.0743 2.8478 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0229 -3.6876 3.8529 O 0 0 0 0 0 1 0 0 0 0 0 0 0.4148 -5.2532 1.5843 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 -6.5895 1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0334 -7.3269 0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7182 -8.7147 0.5205 N 0 0 0 0 0 4 0 0 0 0 0 0 -0.4189 -9.1483 1.3038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3801 -8.9764 -0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8508 -9.5514 0.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 -1.7978 -1.0788 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7453 -1.0554 -0.8873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6667 -0.1633 0.0139 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0011 -1.2439 -1.6457 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0703 -0.3138 -1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5372 -0.4420 0.2025 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1566 -1.7840 0.5269 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3576 -2.0538 -0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3905 -0.9848 -0.1773 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5738 -1.2356 -1.0409 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.3131 -2.4812 -0.8173 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9688 -3.5169 -0.3162 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.7027 -2.2466 -1.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7631 -0.7599 -1.6849 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.0045 -0.2036 -1.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6803 -0.2050 -0.7922 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.2378 1.1507 -1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2354 2.0790 -0.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8072 3.4936 -0.3770 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1729 3.8402 -1.6706 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4904 4.3917 0.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1051 5.8184 0.4970 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4042 6.4979 -0.7889 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8841 6.5155 -1.1259 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6774 7.2404 -0.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1166 3.9755 2.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0725 5.4476 1.8652 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8770 3.8046 1.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 5.1155 -0.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4916 3.4964 -0.3827 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2353 6.2796 0.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1800 5.4295 -0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 2.8262 -0.1442 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8890 2.8550 -0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0507 3.8900 -3.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0319 2.8814 -3.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1778 1.0822 -2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8200 1.9490 -0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6581 2.8652 -2.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5339 3.9120 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0797 4.5371 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0441 3.1067 0.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7252 2.9432 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8036 1.7233 2.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2573 2.0594 0.7743 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4771 2.1344 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2595 -0.2297 0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6322 -0.1239 -0.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4058 -0.2487 2.5513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5938 -1.4729 1.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3024 1.2173 2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0088 -0.3767 3.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1724 -1.3055 1.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 0.2254 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 1.4889 1.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7773 0.0384 2.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5110 -0.2486 -1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9823 -2.0086 -1.8212 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6727 -0.7315 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8352 -2.4649 1.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1517 -3.5939 -0.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9997 -6.5845 0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1795 -6.9428 2.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0972 -6.8380 -0.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0095 -7.2295 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2619 -9.0375 2.3973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5555 -10.2332 1.1213 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3669 -8.6676 0.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -9.8779 -1.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 -8.9867 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2039 -8.0959 -1.2171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5828 -9.4810 0.0199 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5046 -10.6029 0.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 -9.1863 1.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7730 -0.9768 -2.7171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3114 -2.3080 -1.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9172 -0.3020 -1.9380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6433 0.7300 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7194 -0.2289 0.9539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2893 0.3387 0.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4792 -1.7329 1.6008 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4816 -2.6311 0.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7440 -3.0678 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9721 -2.0913 -1.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9504 -0.0204 -0.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7272 -0.9156 0.8794 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2621 -1.1763 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4843 -2.4416 -0.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8711 -2.8603 -2.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4722 -0.5769 -2.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1672 -0.1849 -0.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9588 -0.3312 0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9130 1.4101 -2.1111 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5658 1.8059 0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6872 3.5346 -0.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0878 3.5177 -1.8553 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2895 4.0383 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5841 4.3254 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5517 6.4522 1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9899 5.9344 0.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8385 6.0906 -1.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0739 7.5799 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2935 5.5180 -1.3294 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9756 7.1121 -2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0700 6.5336 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5708 7.7507 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0438 8.0359 0.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 2 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 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 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 52 46 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 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 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 23 93 1 0 23 94 1 0 24 95 1 1 25 96 1 0 25 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 34102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 35107 1 0 36108 1 0 36109 1 0 36110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 6 49124 1 0 49125 1 0 50126 1 6 51127 1 0 52128 1 1 53129 1 0 54130 1 0 55131 1 6 56132 1 0 57133 1 0 57134 1 0 58135 1 0 58136 1 0 59137 1 0 59138 1 0 60139 1 0 60140 1 0 61141 1 0 61142 1 0 61143 1 0 M CHG 2 29 -1 33 1 M END