HMDB0260699 RDKit 3D PE(PGE2/14:1(9Z)) 120120 0 0 0 0 0 0 0 0999 V2000 -13.1824 -2.0391 -1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9699 -1.2601 -1.5248 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6014 -1.6632 -0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3618 -0.8361 0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7503 0.5704 0.2046 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1692 1.4328 -0.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0530 1.1318 -1.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8837 2.0265 -1.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3833 1.8495 0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8486 0.4933 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6736 0.0993 -0.2533 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 -1.2754 0.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0472 -1.7425 -0.6319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9071 -0.8032 -0.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8146 0.2308 -1.1840 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 -1.0444 0.4244 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7940 -0.1683 0.5568 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5644 -0.7470 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8223 -1.3607 -0.8432 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2197 -2.4792 -1.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6615 -3.0657 -0.6410 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5210 -3.1099 -2.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0425 -3.1780 -2.8518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 -4.0030 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 -4.1653 -1.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -3.7371 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3948 -3.0474 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9031 -1.6497 0.5153 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2609 -1.0535 1.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3053 -1.5227 2.3442 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0615 0.1368 2.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3401 0.0225 1.3330 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4574 0.3235 2.1065 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3296 -1.4558 0.9119 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3753 -1.7196 -0.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2394 -0.7762 -0.5071 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2860 -1.1376 -1.5124 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7576 -1.7776 -2.6215 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1433 0.0330 -1.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8330 0.5365 -0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7222 1.7352 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3815 2.1939 0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2758 3.3887 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8739 0.5834 1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0602 1.2806 1.9116 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1903 2.1119 3.3783 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6424 2.1308 3.8564 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3025 1.3568 4.6032 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7188 3.6988 3.1322 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7652 4.6066 3.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1640 5.9818 2.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 5.9752 1.6475 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.0706 -1.4009 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2011 -2.9741 -1.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1022 -2.2908 -3.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1231 -1.4905 -2.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1357 -0.1715 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3626 -2.7383 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4098 -1.4212 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5633 -1.1760 -0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1230 -1.1108 1.3595 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5949 0.9155 0.8481 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5205 2.4812 -0.5943 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7463 0.0901 -1.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3567 1.4989 -2.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2715 3.0712 -1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0775 1.9578 -1.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5308 2.5662 0.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1986 2.0668 1.0085 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4332 0.5635 1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5678 -0.3191 0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8436 0.8204 -0.1439 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9679 0.0805 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9455 -1.2907 1.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0603 -1.9907 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7865 -2.7658 -0.3096 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -1.7924 -1.6823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9280 0.6587 -0.1970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7821 -1.4738 1.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3149 0.0810 0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1610 -4.1441 -2.7103 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0380 -2.5395 -3.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2945 -3.5919 -3.8258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4368 -2.1494 -2.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1485 -5.0518 -1.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1307 -3.5955 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4348 -4.6789 -2.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8987 -3.9577 -0.9863 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 -3.5883 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3113 -3.1296 0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5729 -0.9698 -0.2781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3223 0.1959 3.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4644 1.0367 1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2482 0.6994 0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6780 1.2953 1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4992 -1.9978 1.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5459 -2.6903 -0.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1259 0.2072 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9521 -1.8784 -0.9800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1309 -2.7045 -2.7342 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8675 -0.2176 -2.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4628 0.8423 -2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4953 -0.2869 -0.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0565 0.8218 0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4570 1.3980 -1.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1270 2.5458 -1.3673 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5699 2.5112 1.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9326 1.3776 0.8317 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9779 3.4785 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 3.2158 -0.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6284 4.2790 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 -0.0930 2.7451 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 1.3204 1.9061 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5040 1.8563 4.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5152 4.4417 2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2345 4.5997 4.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9105 6.7850 3.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3303 6.1863 3.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 6.8866 1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2822 5.7269 0.9258 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 2 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 2 0 14 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 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 34 28 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 9 69 1 0 10 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 12 75 1 0 13 76 1 0 13 77 1 0 17 78 1 6 18 79 1 0 18 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 6 31 92 1 0 31 93 1 0 32 94 1 6 33 95 1 0 34 96 1 1 35 97 1 0 36 98 1 0 37 99 1 1 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 48114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 52119 1 0 52120 1 0 M END