HMDB0240504 RDKit 3D Enterodiol sulfate 48 49 0 0 0 0 0 0 0 0999 V2000 -6.8235 0.0852 1.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7551 1.1329 2.0592 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.5447 0.4404 2.6553 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3023 2.3351 3.0683 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3559 1.7707 0.5125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5461 1.0521 -0.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1309 0.1780 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3369 -0.5346 -2.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9443 -0.3800 -2.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3364 0.4877 -1.2219 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8904 0.6112 -1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1321 -0.2866 -0.3199 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4153 -1.7142 -0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 -1.9982 -1.9735 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2971 0.0749 -0.1325 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1626 0.0971 -1.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3064 -1.0664 -2.0360 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 -0.7809 0.9741 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -0.4314 1.1748 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3235 -1.1301 0.5068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6796 -0.8674 0.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0184 0.1599 1.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0706 0.8749 2.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5241 1.8963 3.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7377 0.5837 2.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1760 1.1804 -0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2186 2.1190 3.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2215 0.0751 -1.2447 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8222 -1.2123 -2.8057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -0.9898 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5314 0.4067 -2.2704 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6424 1.6840 -0.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5655 -0.1923 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0236 -2.4323 0.0586 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5176 -1.9375 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4620 -2.8027 -2.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 1.1255 0.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1912 0.4069 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8917 0.9680 -2.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1533 -1.0345 -2.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4096 -0.5757 1.9472 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 -1.8514 0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0924 -1.9524 -0.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4318 -1.4437 0.0850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0896 0.3755 1.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9008 2.4733 3.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0032 1.1599 2.5595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7016 1.8600 0.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 23 25 2 0 10 26 2 0 26 6 1 0 25 19 1 0 4 27 1 0 7 28 1 0 8 29 1 0 9 30 1 0 11 31 1 0 11 32 1 0 12 33 1 1 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 1 16 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 20 43 1 0 21 44 1 0 22 45 1 0 24 46 1 0 25 47 1 0 26 48 1 0 M END