HMDB0251966 RDKit 3D Estradiol valerate 58 61 0 0 0 0 0 0 0 0999 V2000 7.4862 1.2638 0.8628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2863 0.3028 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9432 0.4494 -0.9468 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8730 0.2084 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5053 0.3248 -0.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4220 0.6073 -1.7189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3519 0.1539 0.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 0.2617 -0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 1.3706 0.3189 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9184 0.7556 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 -0.7293 0.8743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 -1.3851 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0014 -1.2309 1.7706 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4522 -1.3247 1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7094 -0.1684 0.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7714 0.6509 0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0050 1.7400 -0.1102 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0771 2.5773 0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 1.9419 -1.1506 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0549 1.1245 -1.4043 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8509 0.0516 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7400 -0.9149 -0.7188 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6875 -0.4204 -1.6853 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4670 -1.2820 -1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2312 -0.9776 -0.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0839 -2.1507 0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1746 0.8506 1.8462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0079 2.2623 0.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5735 1.4718 0.9533 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0590 0.5246 -1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4635 -0.7165 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8548 1.3729 -1.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 -0.3899 -1.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9263 0.8395 0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9795 -0.8518 0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 0.5127 -1.3910 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9504 1.8869 1.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 2.1608 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8978 1.1682 0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8213 0.9973 2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4667 -1.2244 1.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 -2.4886 0.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7315 -2.0022 2.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8484 -0.2251 2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5484 -2.2436 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1349 -1.3665 2.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 0.5162 1.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7048 2.4076 0.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3028 2.7839 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3597 1.2692 -2.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2055 -1.8156 -1.2216 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4847 0.6571 -1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0613 -0.5837 -2.7147 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2375 -1.2293 -2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -2.3376 -1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1171 -2.0525 -0.1751 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6873 -3.0982 -0.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0831 -2.2565 1.3180 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 5 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 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 8 1 0 25 11 1 0 22 12 1 0 21 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 3 33 1 0 4 34 1 0 4 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 10 39 1 0 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 14 46 1 0 16 47 1 0 18 48 1 0 19 49 1 0 20 50 1 0 22 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 26 56 1 0 26 57 1 0 26 58 1 0 M END