HMDB0261392 RDKit 3D PE(18:1(9Z)/PGD1) 134134 0 0 0 0 0 0 0 0999 V2000 14.5030 5.0698 0.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1676 3.7293 0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1011 2.8575 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6369 1.5099 -0.3861 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8882 0.5238 -1.1684 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5304 0.1396 -0.7350 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5260 1.2166 -0.8501 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1688 0.6766 -0.3538 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1728 1.7536 -0.4474 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0885 1.6312 -1.1781 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6731 0.4962 -1.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4311 -0.1675 -1.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1416 0.5232 -1.4992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9354 1.6677 -0.6125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2017 1.6541 0.8098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6182 0.8621 1.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -0.5960 1.9962 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 -1.3749 0.9871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4613 -2.1001 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -1.2863 1.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6633 -1.9117 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2876 -1.5879 0.7373 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2088 -2.2965 2.1203 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3736 -3.6734 1.9185 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3107 -4.4915 3.3856 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1168 -4.4872 3.8725 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3155 -3.7509 4.5331 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8449 -6.0921 3.2206 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0648 -6.8143 2.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3695 -8.2560 2.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5042 -8.8996 3.5831 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7505 -2.1309 -0.0278 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8063 -1.3021 -0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7815 -0.1156 0.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9562 -1.7567 -1.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9497 -2.5397 -0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4765 -1.7875 0.8771 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1896 -0.5279 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4136 -0.6825 -0.3054 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0444 0.6890 -0.5655 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2837 0.5967 -1.4089 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0211 -0.0057 -2.7465 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6833 0.0859 -3.0978 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5135 -1.4365 -2.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1904 -1.6115 -1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5649 -2.6569 -0.9194 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3293 -0.2828 -0.7418 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6627 0.3100 -1.0450 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4667 0.7196 -0.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8023 1.3153 -0.3758 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3341 1.8368 0.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7043 2.3156 -1.5140 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7676 3.4409 -1.2144 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1473 4.2671 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5029 4.9224 -0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8338 5.7350 1.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0727 5.4641 -0.1311 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7170 4.9235 1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2312 5.7698 1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3794 3.2614 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0205 3.7847 -0.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6146 3.3943 -0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3491 2.7492 0.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9621 1.0146 0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6566 1.6339 -0.8866 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4726 -0.4442 -1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8000 0.9059 -2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5586 -0.2254 0.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1466 -0.7617 -1.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3995 1.5012 -1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6584 2.1540 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9088 -0.2799 -0.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3273 0.4944 0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3132 2.7063 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4219 2.5138 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4566 -0.2948 -2.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5344 0.8492 -3.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2966 -1.0542 -2.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6849 -0.7169 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0517 1.0064 -2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2729 -0.1729 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7496 1.8120 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2003 2.6461 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0091 2.7747 1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3480 1.6294 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0678 1.2721 2.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 1.1806 2.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2433 -0.9091 3.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7546 -0.9668 2.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 -2.9762 0.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7502 -1.4013 -0.7985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1849 -0.5180 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -1.8990 2.7314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7959 -2.0579 2.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8242 -3.7432 5.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2027 -6.4168 1.4412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 -6.8419 2.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3493 -8.2336 1.8091 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4043 -8.7937 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4961 -9.0818 3.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0500 -8.4474 4.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4742 -0.9052 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6546 -2.4340 -1.9751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8061 -2.7963 -0.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5375 -3.5235 0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6105 -1.6015 1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1805 -2.4665 1.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5046 0.2255 0.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5330 -0.0309 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1652 -1.1944 -1.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1993 -1.2904 0.1897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2887 1.1797 0.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2831 1.2978 -1.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6699 1.6423 -1.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6212 0.5299 -3.5152 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4755 -0.4792 -3.8823 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7011 -2.1654 -2.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2805 -1.6274 -3.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1153 -0.3750 0.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9411 0.3843 -2.0867 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1329 0.6134 0.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4429 0.4578 -0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9618 1.3542 1.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3607 1.7907 -2.4189 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7168 2.7201 -1.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6994 4.0769 -2.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7507 3.0276 -1.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4070 5.1225 0.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0548 3.7591 0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3128 4.1842 -0.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4543 5.5937 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4147 5.2408 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4732 6.7843 0.9276 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9292 5.7763 1.1674 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 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 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 22 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 47 41 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 6 69 1 0 7 70 1 0 7 71 1 0 8 72 1 0 8 73 1 0 9 74 1 0 10 75 1 0 11 76 1 0 11 77 1 0 12 78 1 0 12 79 1 0 13 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 21 90 1 0 21 91 1 0 22 92 1 1 23 93 1 0 23 94 1 0 27 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 6 42115 1 6 43116 1 0 44117 1 0 44118 1 0 47119 1 1 48120 1 0 49121 1 0 50122 1 6 51123 1 0 52124 1 0 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 56132 1 0 56133 1 0 56134 1 0 M END