Mrv1652304292206172D 13 14 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 2 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 -0.1712 1.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0668 0.6979 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 1 0 0 0 0 4 10 1 0 0 0 0 10 11 1 1 0 0 0 9 12 1 6 0 0 0 2 13 1 0 0 0 0 M END > NP0083252 > NP-MRD > C[C@H]1[C@H](O)C[C@@H]2[C@H]1CN(C)C[C@@H]2C > InChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8+,9-,10-,11+/m0/s1 > MDEHQFAHARLWSP-HPENLJRUSA-N > C11H21NO > 183.295 > 183.1623143 > 2 > 34 > 22.169595728148455 > 1 > 1 > 0 > 1 > (4R,4aS,6R,7R,7aR)-2,4,7-trimethyl-octahydro-1H-cyclopenta[c]pyridin-6-ol > 1.27 > 1.016597408 > -0.48 > 0 > 2 > 1 > 14.93829130763876 > 9.8796837694838 > 23.47 > 54.5618 > 0 > 1 > 6.01e+01 g/l > (4R,4aS,6R,7R,7aR)-2,4,7-trimethyl-octahydrocyclopenta[c]pyridin-6-ol > 1 > NP0083252 > (+)-Kinabalurine A $$$$