Mrv1533004251506272D 20 23 0 0 0 0 999 V2000 5.4223 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 -0.4125 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 0 0 0 0 0 0 0 0 0 0 2.5645 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -0.0000 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.3509 -0.2549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1340 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3509 1.0799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 2.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6209 3.2459 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.5771 2.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8500 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5645 0.8250 0.0000 C 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 3.9934 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7079 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 0.8250 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 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 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 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 5 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 3 18 2 0 0 0 0 18 19 1 0 0 0 0 15 20 1 0 0 0 0 7 20 1 0 0 0 0 10 20 2 0 0 0 0 M CHG 2 7 1 13 -1 M END > NP0289642 > NP-MRD > COC1=C(O)C=C2C(=C1)C=[N+]1CCC3=C1C2=CC([O-])=C3 > InChI=1S/C16H13NO3/c1-20-15-5-10-8-17-3-2-9-4-11(18)6-13(16(9)17)12(10)7-14(15)19/h4-8,18H,2-3H2,1H3 > KAEIXCUGLNXMQA-UHFFFAOYSA-N > C16H13NO3 > 267.284 > 267.089543283 > 3 > 33 > 28.286154352450147 > 1 > 1 > 0 > 0 > 4-hydroxy-5-methoxy-9λ⁵-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-9-ylium-14-olate > -1.21 > -1.9043537364717453 > -5.39 > 0 > 4 > 1 > 9.634539627882319 > 7.924105775466342 > -4.910566598890992 > 56.400000000000006 > 87.1193 > 1 > 1 > 1.31e-03 g/l > 4-hydroxy-5-methoxy-9λ⁵-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,4,6,8,12(16),13-heptaen-9-ylium-14-olate > 0 > NP0289642 > 14-hydroxy-5-methoxy-9-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(15),2,5,7,12(16),13-hexaen-4-one $$$$