Mrv1652309082221482D 30 33 0 0 1 0 999 V2000 6.3909 -1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0471 -1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -0.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2257 -1.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8818 -0.3374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0605 -0.2602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 0.4897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 0.3944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7345 -0.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4535 -0.8190 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5488 -1.6385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6440 -2.4580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 -0.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7901 -1.4868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3336 -0.1327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5519 -0.3963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3892 -1.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0673 0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0953 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8771 1.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4962 0.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 0.9396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4406 1.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1942 1.1624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8503 1.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0155 1.0852 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4931 1.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3594 0.3353 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1209 0.6528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 -0.1185 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 5 4 1 6 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 2 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 3 0 0 0 0 9 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 8 22 1 0 0 0 0 22 23 2 0 0 0 0 7 24 1 0 0 0 0 24 25 1 6 0 0 0 24 26 1 0 0 0 0 26 27 1 1 0 0 0 26 28 1 0 0 0 0 5 28 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 1 0 0 0 M END > NP0272961 > NP-MRD > CC(=O)O[C@@H]1C2=C([C@H](O)[C@@H](O)[C@@]1(C)O)C1=C(N2C#N)C(=O)C2=C(O)C=CC=C2C1=O > InChI=1S/C20H16N2O8/c1-7(23)30-19-14-12(17(27)18(28)20(19,2)29)11-13(22(14)6-21)16(26)10-8(15(11)25)4-3-5-9(10)24/h3-5,17-19,24,27-29H,1-2H3/t17-,18+,19+,20+/m0/s1 > SCLQHBRYNQYXBX-MTQWCTHYSA-N > C20H16N2O8 > 412.354 > 412.090665483 > 8 > 46 > 39.4728014873211 > 1 > 4 > 0 > 1 > (1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1H,2H,3H,4H,5H,6H,11H-benzo[b]carbazol-4-yl acetate > 0.26356153133333327 > 0 > 4 > 0 > 12.362533750750735 > 7.738153681020694 > -3.7035036957727803 > 170.07999999999998 > 100.21919999999999 > 2 > 1 > (1S,2R,3R,4R)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1H,2H,4H-benzo[b]carbazol-4-yl acetate > 0 > NP0272961 > (1s,2r,3r,4r)-5-cyano-1,2,3,7-tetrahydroxy-3-methyl-6,11-dioxo-1h,2h,4h-benzo[b]carbazol-4-yl acetate $$$$