HMDB0061076 RDKit 3D beta-oxymorphol 43 47 0 0 0 0 0 0 0 0999 V2000 3.9083 -0.1369 0.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6264 0.5233 0.3780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1272 0.1970 1.6668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6554 0.3073 1.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1676 -0.2027 0.7211 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8413 0.9438 0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2495 1.7764 -0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 2.8002 -1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3439 2.9349 -0.9482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8901 2.0492 -0.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2082 2.1667 0.3754 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1451 1.0193 0.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3165 -0.0230 1.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3290 -1.0382 1.1258 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8842 -1.9092 0.0581 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5632 -2.9753 0.6671 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8868 -2.4820 -0.8858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0711 -1.3201 -1.4688 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7406 -0.7854 -0.3221 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4526 -1.8513 0.2175 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7240 0.2735 -0.7138 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1617 1.5564 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2568 0.0394 -0.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6391 0.3548 0.8918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 -1.2036 0.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4974 -0.8080 2.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6010 0.9199 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3861 -0.2994 2.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3398 1.3550 2.1196 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5834 3.4945 -2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9795 3.7217 -1.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6603 1.5700 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1836 -1.5648 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -1.3723 -0.5486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4632 -3.1163 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -3.1128 -0.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4044 -3.0434 -1.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7656 -0.5601 -1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5870 -1.7578 -2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8425 -2.3619 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 -0.1606 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2341 1.6710 -2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7414 2.4109 -0.7881 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 5 4 1 1 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 1 19 21 1 0 21 22 1 0 21 2 1 0 14 5 1 0 19 5 1 0 12 6 1 0 22 7 1 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 8 30 1 0 9 31 1 0 11 32 1 0 14 33 1 1 15 34 1 6 16 35 1 0 17 36 1 0 17 37 1 0 18 38 1 0 18 39 1 0 20 40 1 0 21 41 1 6 22 42 1 0 22 43 1 0 M END