HMDB0041699 RDKit 3D 6-Hydroxyenterodiol 45 46 0 0 0 0 0 0 0 0999 V2000 1.4708 -1.0959 -3.4169 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8990 -0.1932 -2.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6428 -0.9305 -1.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 -1.5184 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9240 -0.7263 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9443 -0.3384 -0.9382 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0373 0.3717 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1537 0.7233 0.8358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 0.3513 1.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2902 0.7162 3.0456 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0811 -0.3550 1.2265 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5014 -0.4200 -0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4855 1.0065 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5842 1.3623 0.8040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8374 -0.6699 -1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9487 -0.1483 -0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5262 1.1005 -0.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5320 1.6531 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0689 2.8935 -0.1192 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0248 0.9629 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4759 -0.2620 1.5891 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 -0.8321 0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9589 -2.0635 1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5004 -2.0117 -3.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0475 0.1303 -2.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5268 0.6913 -2.3735 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1229 -1.9188 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -2.3569 -1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3743 -2.1579 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9132 -0.5864 -2.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8179 0.6613 -1.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 1.2916 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9152 1.6077 3.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3149 -0.6309 1.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5498 -1.0370 0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3981 1.1957 0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6498 1.7107 -0.8310 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 1.0608 1.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9597 -1.7498 -1.3111 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 -0.0565 -2.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1280 1.6332 -1.3928 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8681 2.9659 -0.7609 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8226 1.3971 1.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8483 -0.8221 2.4407 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2577 -2.6054 0.7757 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 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 9 11 2 0 3 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 18 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 11 5 1 0 22 16 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 6 30 1 0 7 31 1 0 8 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 15 39 1 0 15 40 1 0 17 41 1 0 19 42 1 0 20 43 1 0 21 44 1 0 23 45 1 0 M END