Mrv1652309022214212D 20 23 0 0 1 0 999 V2000 6.2280 1.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4049 1.5881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9453 0.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 0.1624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8494 -0.5228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 -0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6626 0.2732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1222 0.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7586 1.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8570 0.4507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2595 1.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2741 -0.0151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4826 -0.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8715 -0.5841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6629 -0.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8710 -1.4030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2221 -0.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 -0.0686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 -1.2134 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 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 3 8 1 0 0 0 0 8 9 1 0 0 0 0 7 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 10 16 1 0 0 0 0 16 17 1 6 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 10 19 1 1 0 0 0 17 20 1 0 0 0 0 6 20 1 0 0 0 0 M END > NP0155331 > NP-MRD > COC1=CC=C2CN3CC[C@@]4(C=CC(=O)C[C@@H]34)C2=C1O > InChI=1S/C16H17NO3/c1-20-12-3-2-10-9-17-7-6-16(14(10)15(12)19)5-4-11(18)8-13(16)17/h2-5,13,19H,6-9H2,1H3/t13-,16-/m1/s1 > JWLDGQVIEATVQI-CZUORRHYSA-N > C16H17NO3 > 271.316 > 271.120843411 > 4 > 37 > 28.05865184229855 > 1 > 1 > 0 > 1 > (1R,10R)-3-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6,13-tetraen-12-one > 1.21 > 1.5274023505845769 > -2.02 > 0 > 4 > 1 > 17.58708021535572 > 9.601036520384854 > 7.810989958948206 > 49.77 > 76.81479999999999 > 1 > 1 > 2.59e+00 g/l > (1R,10R)-3-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.0^{1,10}.0^{2,7}]hexadeca-2,4,6,13-tetraen-12-one > 0 > NP0155331 > (1r,10r)-3-hydroxy-4-methoxy-9-azatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6,13-tetraen-12-one $$$$