HMDB0034141 RDKit 3D 12alpha-Hydroxyerosone 43 47 0 0 0 0 0 0 0 0999 V2000 2.8855 -1.3141 4.8926 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9415 -1.9486 3.6392 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 -1.6773 2.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0648 -0.7421 2.7732 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1841 -0.4587 1.7622 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3425 -1.1497 0.5762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3455 -2.0903 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2292 -2.3691 1.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2383 -3.3165 1.2602 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -3.9914 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6253 -0.8265 -0.5097 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -1.8686 -1.4400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1030 0.4273 -1.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 0.6050 -1.2333 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9871 1.4354 -1.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5298 2.6061 -2.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4071 3.5466 -2.7996 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 4.7731 -3.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4989 5.2317 -3.6978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 4.3591 -3.2786 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7699 3.3220 -2.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2031 2.1491 -2.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3429 1.2066 -1.6313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 0.0299 -1.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0142 -0.6114 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1006 0.2584 1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8403 0.4587 1.8426 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3682 -0.3170 4.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8147 -1.2753 5.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3972 -1.9104 5.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9325 -0.1896 3.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4243 -2.6085 -0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3378 -3.2542 -0.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 -4.6996 -0.0695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2694 -4.5992 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -1.6072 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 2.7865 -2.3477 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2827 5.2562 -3.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 6.1907 -4.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2620 1.9451 -2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4827 -1.6153 0.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 1.2909 0.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7596 -0.2064 1.9668 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 6 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 8 3 1 0 25 11 1 0 27 5 1 0 23 15 1 0 21 17 2 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 7 32 1 0 10 33 1 0 10 34 1 0 10 35 1 0 12 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 22 40 1 0 25 41 1 0 26 42 1 0 26 43 1 0 M END