Mrv1533004251509282D 22 26 0 0 0 0 999 V2000 2.3757 1.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9509 0.4279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1355 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7486 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5771 -1.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 -1.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6104 -2.4529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 -1.0619 0.0000 C 0 0 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 1.1355 0.8250 0.0000 N 0 3 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 4.7780 1.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2629 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7780 -0.2549 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 2 1 0 0 0 0 2 3 1 0 0 0 0 3 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 6 8 1 0 0 0 0 8 9 2 0 0 0 0 3 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 3 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 16 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 4 22 1 0 0 0 0 14 22 1 0 0 0 0 M CHG 1 12 1 M END > NP0276704 > NP-MRD > COC12C3CC(O)C=C1CC[N+]2=CC1=CC2=C(OCO2)C=C31 > InChI=1S/C17H18NO4/c1-20-17-11-2-3-18(17)8-10-4-15-16(22-9-21-15)7-13(10)14(17)6-12(19)5-11/h4-5,7-8,12,14,19H,2-3,6,9H2,1H3/q+1 > SCCZQLWAJVZURZ-UHFFFAOYSA-N > C17H18NO4 > 300.333 > 300.123034484 > 4 > 40 > 31.40759565639842 > 1 > 1 > 1 > 0 > 17-hydroxy-19-methoxy-5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,11,15-pentaen-12-ylium > -1.02 > -1.9742506658050791 > -3.95 > 0 > 5 > 1 > 14.804556528858594 > -2.8842869742772503 > 50.93000000000001 > 92.2993 > 1 > 1 > 3.74e-02 g/l > 17-hydroxy-19-methoxy-5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,11,15-pentaen-12-ylium > 0 > NP0276704 > 17-hydroxy-19-methoxy-5,7-dioxa-12λ⁵-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9,11,15-pentaen-12-ylium $$$$