Mrv1652304292206172D 12 13 0 0 1 0 999 V2000 3.3523 1.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 1.1104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6378 0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9233 1.1104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9233 1.9354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6378 2.3479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6378 3.1729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 2.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6538 1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1712 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 0.8555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8838 0.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 6 7 1 1 0 0 0 5 8 1 1 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 4 11 1 0 0 0 0 11 12 1 1 0 0 0 M END > NP0083254 > NP-MRD > C[C@@H]1[C@@H]2CNC[C@H](C)[C@@H]2CC1=O > InChI=1S/C10H17NO/c1-6-4-11-5-9-7(2)10(12)3-8(6)9/h6-9,11H,3-5H2,1-2H3/t6-,7+,8-,9-/m0/s1 > VPXKYNHYSKALJR-KZVJFYERSA-N > C10H17NO > 167.252 > 167.131014171 > 2 > 29 > 18.99457153036132 > 1 > 1 > 0 > 1 > (4R,4aS,7R,7aR)-4,7-dimethyl-octahydro-1H-cyclopenta[c]pyridin-6-one > 0.61 > 1.0190637243333334 > -1.59 > 0 > 2 > 1 > 19.564235420185625 > 10.372119650602757 > 29.1 > 48.3419 > 0 > 1 > 4.32e+00 g/l > (4R,4aS,7R,7aR)-4,7-dimethyl-octahydrocyclopenta[c]pyridin-6-one > 1 > NP0083254 > (+)-Kinabalurine C $$$$