Mrv1652304282223562D 14 15 0 0 1 0 999 V2000 3.2789 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 1.6002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5645 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7798 1.0799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2949 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7798 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5249 1.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4782 1.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2789 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 1 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 1 0 0 0 8 11 1 6 0 0 0 7 12 1 6 0 0 0 5 13 1 1 0 0 0 2 14 1 0 0 0 0 M END > NP0076752 > NP-MRD > C[C@H]1CC[C@@H]2[C@H](C)CN(C)(=O)C[C@]12O > InChI=1S/C11H21NO2/c1-8-6-12(3,14)7-11(13)9(2)4-5-10(8)11/h8-10,13H,4-7H2,1-3H3/t8-,9+,10-,11+,12?/m1/s1 > WNNYIIINIZJRMW-OGZKGVCFSA-N > C11H21NO2 > 199.294 > 199.15722892 > 2 > 35 > 22.292784306374045 > 1 > 1 > 0 > 1 > (4S,4aR,7S,7aS)-7a-hydroxy-2,4,7-trimethyl-octahydro-1H-2lambda5-cyclopenta[c]pyridin-2-one > -0.76 > 0.2755484466666664 > -2.28 > 0 > 2 > 0 > 13.486541442752443 > 2.4654748728554545 > 47.11 > 56.311299999999996 > 0 > 1 > 1.04e+00 g/l > (4S,4aR,7S,7aS)-7a-hydroxy-2,4,7-trimethyl-hexahydro-1H-2lambda5-cyclopenta[c]pyridin-2-one > 0 > NP0076752 > (+)-Kinabalurine G $$$$