Mrv1652309022210032D 24 26 0 0 1 0 999 V2000 0.6159 -2.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 -2.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6778 -3.2303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9749 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9130 -0.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7464 -0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4139 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2208 -0.4349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 0.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9237 0.9629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2828 0.5213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7729 -1.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5798 -0.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -1.8326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4560 -2.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1589 -1.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3339 -1.3910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6695 -2.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -2.0041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 -2.7887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 11 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 10 20 1 0 0 0 0 20 21 1 0 0 0 0 8 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 4 23 1 0 0 0 0 23 24 2 0 0 0 0 M END > NP0151712 > NP-MRD > CC(=O)C1=C(O)C=C2OC3=C(C(O)=N)C(O)=CC(O)=C3[C@@]2(C)C1=O > InChI=1S/C16H13NO7/c1-5(18)10-7(20)4-9-16(2,14(10)22)12-8(21)3-6(19)11(15(17)23)13(12)24-9/h3-4,19-21H,1-2H3,(H2,17,23)/t16-/m0/s1 > GEWLYFZWVLXQME-INIZCTEOSA-N > C16H13NO7 > 331.28 > 331.069201763 > 8 > 37 > 31.6027557677255 > 1 > 5 > 0 > 0 > (1R)-12-acetyl-3,5,11-trihydroxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaene-6-carboximidic acid > 1.12 > -0.4553130477447462 > -3.22 > 0 > 3 > -1 > 6.862779085287684 > 3.4172521665263664 > 5.247673213485601 > 148.14 > 95.21650000000001 > 2 > 1 > 2.00e-01 g/l > (1R)-12-acetyl-3,5,11-trihydroxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0^{2,7}]trideca-2,4,6,9,11-pentaene-6-carboximidic acid > 0 > NP0151712 > (1r)-12-acetyl-3,5,11-trihydroxy-1-methyl-13-oxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-2,4,6,9,11-pentaene-6-carboximidic acid $$$$