Mrv1652309072217292D 21 25 0 0 1 0 999 V2000 2.3675 -4.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0872 -3.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2751 -3.6143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9948 -2.8384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1827 -2.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0976 -1.9173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4342 -1.2866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3213 -0.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0637 -0.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6354 -0.7043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2463 -1.4318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5266 -2.2077 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3387 -2.3529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8705 -1.7222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6826 -1.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9629 -2.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 -3.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6190 -3.1289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7875 -2.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0168 -1.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3340 -1.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 3 1 6 0 0 0 4 5 1 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 11 10 1 1 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 4 12 1 0 0 0 0 12 13 1 6 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 13 18 1 0 0 0 0 2 18 1 0 0 0 0 16 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 15 21 1 0 0 0 0 M END > NP0252087 > NP-MRD > O=C1O[C@@H]2CC=C3CCN[C@H]3[C@@H]2C2=CC3=C(OCO3)C=C12 > InChI=1S/C16H15NO4/c18-16-10-6-13-12(19-7-20-13)5-9(10)14-11(21-16)2-1-8-3-4-17-15(8)14/h1,5-6,11,14-15,17H,2-4,7H2/t11-,14-,15-/m1/s1 > YKWKYZIJCKOEFI-KCPJHIHWSA-N > C16H15NO4 > 285.299 > 285.100107967 > 4 > 36 > 29.31639524729016 > 1 > 1 > 0 > 1 > (2S,3S,10R)-11,16,18-trioxa-4-azapentacyclo[11.7.0.0^{2,10}.0^{3,7}.0^{15,19}]icosa-1(20),7,13,15(19)-tetraen-12-one > 1.2691087513333337 > 0 > 5 > 1 > 9.87800568835021 > 56.790000000000006 > 74.8888 > 0 > 1 > (2S,3S,10R)-11,16,18-trioxa-4-azapentacyclo[11.7.0.0^{2,10}.0^{3,7}.0^{15,19}]icosa-1(20),7,13,15(19)-tetraen-12-one > 0 > NP0252087 > (2s,3s,10r)-11,16,18-trioxa-4-azapentacyclo[11.7.0.0²,¹⁰.0³,⁷.0¹⁵,¹⁹]icosa-1(20),7,13,15(19)-tetraen-12-one $$$$