HMDB0269312 RDKit 3D PG(6 keto-PGF1alpha/18:3(6Z,9Z,12Z)) 134134 0 0 0 0 0 0 0 0999 V2000 6.1641 -3.2755 2.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7566 -3.2472 1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0204 -3.2286 0.6410 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9401 -3.1580 -0.8152 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2031 -4.1908 -1.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5876 -5.5701 -1.3337 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7439 -6.5226 -1.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2767 -6.3981 -0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7695 -6.7650 0.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0229 -6.0203 1.0653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5817 -4.6874 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -4.6106 0.7009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 -4.2755 -0.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9740 -3.9229 -1.6285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6265 -2.4835 -2.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1770 -2.1829 -3.3548 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6719 -3.0132 -4.4828 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8093 -2.8756 -4.6678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4248 -3.4335 -5.6013 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4969 -2.1179 -3.7867 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8622 -1.8209 -3.7177 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9878 -0.3284 -3.6648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2953 0.1503 -3.5015 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4211 1.5430 -3.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3861 2.2237 -3.4922 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7321 2.1448 -3.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7004 3.6318 -2.9047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9051 3.9280 -1.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8889 5.3952 -1.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 5.6841 -0.1541 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2398 6.7413 0.3984 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0339 4.7680 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4051 5.2400 1.6475 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3609 5.3869 2.7715 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6975 5.1712 2.4157 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9494 4.4438 3.8700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0714 3.4211 3.1818 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7474 2.3675 2.6245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3685 4.2528 2.1212 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2609 4.9709 2.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9785 4.8965 2.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0729 5.6246 3.0693 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6327 6.0348 4.3521 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2648 4.7533 3.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9041 4.1928 2.0788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0836 3.3445 2.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7471 2.7689 1.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2126 3.9302 0.4627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 -2.4550 -2.4356 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7659 -2.2009 -2.3041 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2986 -2.9213 -0.8739 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.6519 -4.3725 -1.1093 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6771 -2.0725 -0.3861 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0646 -2.8166 0.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4952 -2.2308 1.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3110 -2.1991 2.3984 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2566 -1.4644 1.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6986 -1.6375 3.7417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0776 -0.3092 3.5822 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1848 -2.8878 3.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4727 -2.5688 3.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0617 -4.2835 3.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 -2.4196 1.2369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2102 -4.2031 1.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5705 -2.2851 0.9835 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7320 -4.0366 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5294 -2.1275 -1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0108 -3.0644 -1.2009 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4958 -3.9991 -2.6858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1215 -3.9665 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6722 -5.7954 -1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1637 -7.5616 -0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 -5.4680 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9000 -7.2059 -1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0292 -7.7633 0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6744 -6.3842 2.0607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0992 -4.2013 -0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8814 -4.0284 1.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6158 -4.8597 1.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7248 -4.2372 -0.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4090 -4.5496 -2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0155 -4.1423 -1.7902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 -1.8482 -1.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4424 -2.2825 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -1.1067 -3.6176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2899 -2.2736 -3.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9448 -4.0835 -4.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 -2.6509 -5.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4076 -2.2821 -4.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 0.0605 -2.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6363 0.0459 -4.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2874 2.0500 -4.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3546 1.6062 -2.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3780 4.2172 -3.7827 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7784 3.9251 -2.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2684 3.3121 -0.8188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8569 3.6254 -1.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9047 5.7582 -1.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4823 5.9824 -2.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3455 3.7091 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1793 4.7829 -0.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8241 6.1948 1.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3227 6.4422 3.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3221 5.7505 2.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7845 4.0094 4.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 5.0188 4.6009 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3278 3.0380 3.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1462 1.9846 1.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 3.6138 1.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4729 5.5651 3.6776 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1602 4.2882 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3101 6.5548 2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8757 5.3309 5.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0403 3.9185 3.9893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0334 5.3772 3.8301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2313 5.0113 1.4282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2089 3.4640 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7133 2.5037 3.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7945 3.9561 3.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9744 2.2147 0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5943 2.0980 1.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0679 3.6227 -0.1794 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3902 4.1951 -0.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4655 4.8029 1.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2052 -3.5410 -2.5194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8079 -2.0530 -1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6753 -1.8031 0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3225 -2.8005 1.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8363 -1.2158 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9741 -3.2490 2.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8628 -0.8357 2.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5142 -2.2719 4.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8013 -1.6607 4.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8469 0.2469 4.3648 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 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 42 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 21 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 1 0 39 33 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 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 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 28 97 1 0 29 98 1 0 29 99 1 0 32100 1 0 32101 1 0 33102 1 6 34103 1 1 35104 1 0 36105 1 0 36106 1 0 37107 1 1 38108 1 0 39109 1 6 40110 1 0 41111 1 0 42112 1 6 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 53127 1 0 55128 1 0 55129 1 0 56130 1 1 57131 1 0 58132 1 0 58133 1 0 59134 1 0 M END