HMDB0003769 RDKit 3D Etiocholanedione 49 52 0 0 0 0 0 0 0 0999 V2000 2.8168 -1.5028 -0.3146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7243 -0.1326 0.3101 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1395 -0.2148 1.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6961 -0.6067 1.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1073 0.2709 0.6622 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5545 0.1970 -0.7205 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3202 0.8318 -1.7677 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.1641 -1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8346 -0.8296 -0.6538 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2626 -1.3149 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1920 -0.2373 -0.2599 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3248 -0.2586 -0.7023 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8351 0.8843 0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3804 1.1342 0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5353 -0.1293 0.6372 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9251 -0.9945 1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8881 0.8113 -0.5680 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7259 0.9427 -1.7678 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1387 1.0252 -1.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0330 0.5101 0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8845 0.6265 1.0434 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9671 -2.1629 -0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9648 -1.4785 -1.4064 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7280 -1.9884 0.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6627 -1.0580 2.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3025 0.6745 2.2966 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2457 -0.4779 2.6069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5703 -1.6873 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0143 1.3216 1.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6723 -0.8742 -0.9589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3682 1.9305 -1.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1521 0.6340 -2.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 0.9341 -1.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8917 -0.3607 -2.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 -1.7136 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 -1.6177 -1.6859 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3779 -2.2290 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3620 0.7458 1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3068 1.8066 0.1928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1822 1.5127 1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0094 1.9428 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0387 -1.1429 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3879 -1.9399 1.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7887 -0.3560 2.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8284 1.7789 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 1.9340 -2.2618 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 0.1853 -2.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 0.4411 -1.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5095 2.0682 -1.1603 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 1 6 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 17 2 1 0 20 2 1 0 15 5 1 0 15 9 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 5 29 1 1 6 30 1 6 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 6 10 36 1 0 10 37 1 0 13 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 1 18 46 1 0 18 47 1 0 19 48 1 0 19 49 1 0 M END