HMDB0005056 RDKit 3D Enterodiol 44 45 0 0 0 0 0 0 0 0999 V2000 -1.3693 -2.2865 -1.4937 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4857 -1.9549 -0.1658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7848 -0.6571 0.1698 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3910 0.4515 -0.6372 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8407 0.6270 -0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7943 -0.0148 -1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 0.1277 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5598 0.9575 0.1455 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6329 1.6217 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 2.4488 1.9515 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2944 1.4502 0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7075 -0.7906 -0.0070 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2282 -1.8700 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9818 -1.6116 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3941 0.5168 0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8681 0.4295 0.0205 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6381 0.1676 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0101 0.0682 1.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6676 0.2327 -0.1061 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9305 0.4967 -1.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6218 0.6587 -2.4306 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5349 0.5942 -1.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 -1.6653 -2.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5666 -1.7855 0.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1829 -2.8008 0.4831 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0086 -0.4696 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9347 1.4477 -0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2038 0.3133 -1.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5191 -0.6664 -1.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8864 -0.3886 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6174 1.0846 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 3.4340 1.8438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5700 1.9574 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -1.1798 -1.0520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8220 -2.8729 0.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3386 -1.9508 0.8168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7725 -0.6708 2.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0207 1.1882 -0.6580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1134 0.9228 1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 0.0223 2.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6018 -0.1387 1.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7690 0.1587 -0.1745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9328 1.5978 -2.6865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 0.7990 -2.0551 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 2 0 19 20 1 0 20 21 1 0 20 22 2 0 11 5 1 0 22 16 1 0 1 23 1 0 2 24 1 0 2 25 1 0 3 26 1 1 4 27 1 0 4 28 1 0 6 29 1 0 7 30 1 0 8 31 1 0 10 32 1 0 11 33 1 0 12 34 1 6 13 35 1 0 13 36 1 0 14 37 1 0 15 38 1 0 15 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 21 43 1 0 22 44 1 0 M END