HMDB0301632 RDKit 3D 7-[(1R,2R,5S)-5-hydroxy-2-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-3-oxocyclopentyl]h... 140143 0 0 0 0 0 0 0 0999 V2000 17.0957 1.5924 -1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8545 2.3927 -1.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6365 1.8184 -0.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0517 0.5793 -1.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9518 -0.6074 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3119 -1.9016 -1.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9400 -1.7601 -2.7972 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2795 -2.4505 -0.6012 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0314 -1.9725 0.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9705 -2.5424 1.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6161 -2.6659 2.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9595 -3.6600 3.3962 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7644 -1.2660 3.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 -0.4732 2.5864 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2437 0.5674 1.8585 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9306 -1.4629 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2498 -1.0052 0.5651 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2672 0.0782 0.6793 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0589 -0.0923 1.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1452 -1.1977 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9174 -1.2705 2.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 -0.1537 1.9163 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3444 1.1909 2.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7144 1.4997 3.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 2.5431 1.0767 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5804 1.9879 -0.4600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0705 1.9513 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4792 1.4327 -1.5359 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 1.4440 -1.6826 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 1.9339 -0.7621 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4662 0.8928 -2.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.6120 -3.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8085 1.5983 -2.1945 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3605 0.4119 -1.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9561 -0.6829 -2.1316 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4037 0.4987 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 1.8195 -0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6195 -0.2529 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1826 0.2987 -2.3473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3552 -1.7246 -1.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7086 0.0139 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9695 1.4009 0.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1672 1.6727 1.1802 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.8255 0.3628 1.5321 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4688 2.3181 2.5855 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3527 2.7417 0.6157 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4974 2.0352 -0.3653 P 0 0 0 0 0 5 0 0 0 0 0 0 -10.5481 3.1076 -0.6569 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9067 1.4811 -1.8386 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.3231 0.7933 0.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.3261 0.2577 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0716 -0.8258 0.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6935 -0.3956 1.4917 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.8833 -1.0931 1.6471 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9834 -0.2129 1.6484 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.8403 1.1366 1.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0270 1.7248 1.5749 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.9509 0.7893 1.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3218 0.8367 1.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0674 2.0263 1.6935 N 0 0 0 0 0 0 0 0 0 0 0 0 -19.0123 -0.3373 1.8456 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.3512 -1.4917 1.8876 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0234 -1.5132 1.8249 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3056 -0.4197 1.7218 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8729 -2.1995 0.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0386 -2.7269 0.2729 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0590 -1.5593 -0.4593 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8230 -0.9432 -1.3678 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9763 -1.4605 -2.8970 P 0 0 0 0 0 5 0 0 0 0 0 0 -14.1089 -0.4579 -3.9764 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.4168 -2.4010 -2.9651 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7586 -2.5650 -3.3833 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0724 0.8570 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9734 2.2914 -0.8499 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3588 1.2003 -2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6622 2.7434 -2.1734 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0688 3.3549 -0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8334 2.6058 -0.5054 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8571 1.6772 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8568 0.8134 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0148 0.3966 -0.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3732 -0.7554 0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7933 -0.4455 -1.7021 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2058 -2.6227 -1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2843 -1.0120 -2.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7046 -3.3007 -0.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6092 -1.1349 0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5447 -3.4657 1.1086 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7515 -0.8955 2.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6515 -1.2133 4.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0298 -0.0654 3.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1295 0.8674 2.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2052 -1.9896 2.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6900 -1.8854 0.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0477 -0.6759 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 0.2862 -0.3703 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7550 1.0364 1.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5272 0.8739 1.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3735 -0.1781 2.6305 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7948 -0.9641 0.0993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6672 -2.1964 1.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3907 -2.2674 1.8314 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 -1.3546 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5446 -0.1221 0.8558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0379 -0.4866 2.5419 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8102 2.7092 -1.2826 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9852 1.0079 -0.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6948 3.0121 -0.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7202 1.3637 0.5505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0897 1.0648 -2.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 0.9612 -3.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2484 -0.2103 -2.7623 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2262 1.1422 -4.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5870 2.6892 -3.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1792 2.4978 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0106 -0.0078 0.3243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8040 1.9764 0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2838 0.2305 -2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9008 1.3738 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7775 -0.2258 -3.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -2.0396 -2.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2013 -2.3243 -0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4563 -2.0308 -0.5793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4501 -0.3546 0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6211 -0.4991 -0.3536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5524 1.6670 3.3204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4134 1.8471 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7973 -0.2078 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9609 1.1107 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2931 -1.5694 0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8264 -1.5379 2.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9129 1.6974 1.4777 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5757 2.9371 1.6851 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0991 2.0114 1.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8759 -2.4231 1.9753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2349 -3.0216 1.0647 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1932 -3.6739 0.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5369 -2.4095 -0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0277 -2.1640 -2.2397 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0395 -1.9950 -3.7845 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 6 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 14 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 1 0 23 24 2 0 23 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 31 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 47 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 57 58 1 0 58 59 2 0 59 60 1 0 59 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 54 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 68 69 1 0 69 70 2 0 69 71 1 0 69 72 1 0 16 10 1 0 67 52 1 0 64 55 1 0 64 58 1 0 1 73 1 0 1 74 1 0 1 75 1 0 2 76 1 0 2 77 1 0 3 78 1 0 3 79 1 0 4 80 1 0 4 81 1 0 5 82 1 0 5 83 1 0 6 84 1 0 7 85 1 0 8 86 1 0 9 87 1 0 10 88 1 0 13 89 1 0 13 90 1 0 14 91 1 0 15 92 1 0 16 93 1 0 17 94 1 0 17 95 1 0 18 96 1 0 18 97 1 0 19 98 1 0 19 99 1 0 20100 1 0 20101 1 0 21102 1 0 21103 1 0 22104 1 0 22105 1 0 26106 1 0 26107 1 0 27108 1 0 27109 1 0 28110 1 0 31111 1 0 31112 1 0 32113 1 0 32114 1 0 33115 1 0 36116 1 0 37117 1 0 39118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 40123 1 0 41124 1 0 41125 1 0 45126 1 0 49127 1 0 51128 1 0 51129 1 0 52130 1 0 54131 1 0 56132 1 0 60133 1 0 60134 1 0 62135 1 0 65136 1 0 66137 1 0 67138 1 0 71139 1 0 72140 1 0 M END