HMDB0060045 RDKit 3D 15-keto-PGF1alpha 59 59 0 0 0 0 0 0 0 0999 V2000 7.1024 0.1704 2.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0462 -0.8639 2.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8527 -0.6697 3.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1834 0.6460 2.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6556 0.8931 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6343 -0.0720 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2677 -0.9950 1.8944 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0506 0.0467 -0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1322 -0.7874 -0.6496 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5203 -0.7050 -1.9734 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6068 -1.9804 -2.7674 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8674 -2.1205 -3.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4931 -1.8467 -3.7997 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2918 -0.6104 -3.3995 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6930 0.4653 -4.0682 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9913 -0.5225 -1.9251 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3935 0.7681 -1.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8790 0.9084 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5889 -0.1670 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0835 0.0658 -0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4912 1.3787 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1005 1.5608 1.4857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6985 0.5507 2.3844 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4573 -0.3462 1.9746 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3891 0.6240 3.7302 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0352 -0.3092 2.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4435 0.6393 1.4962 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8278 0.9673 3.1771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4452 -1.8805 2.4576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7597 -0.8608 1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2766 -0.6562 4.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1757 -1.5178 3.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8540 1.4737 3.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3251 0.6887 3.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1409 1.8982 1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4538 1.0218 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3444 0.8409 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8185 -1.5849 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9304 0.1073 -2.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3521 -2.8765 -2.1508 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9574 -1.4441 -4.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0122 -1.7002 -4.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1500 -2.7390 -3.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3610 -0.7123 -3.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 1.3335 -3.7216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -1.3592 -1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8696 1.6486 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0719 0.7105 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1606 1.9087 -0.8622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 0.8977 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2029 -0.1479 0.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4170 -1.1771 -0.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3379 0.1234 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6550 -0.7862 -0.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1458 2.1973 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6157 1.4162 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0085 1.5273 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4224 2.5911 1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3599 -0.2581 4.2544 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 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 16 10 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 8 37 1 0 9 38 1 0 10 39 1 6 11 40 1 1 12 41 1 0 13 42 1 0 13 43 1 0 14 44 1 1 15 45 1 0 16 46 1 1 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 25 59 1 0 M END