16745759 -OEChem-03282406512D 62 64 0 1 0 0 0 0 0999 V2000 8.3660 1.8067 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -0.6933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 -2.1933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7564 -2.7208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6282 -1.2242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6340 0.8067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.4254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4884 2.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.2914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -1.5594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 -0.7142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.6933 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8962 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 0.3275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 -1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 -1.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1260 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 -2.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7641 -0.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8962 0.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7641 0.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8923 1.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -1.5594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6282 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7564 2.3341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6243 1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.4254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4846 3.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4319 -1.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1188 -1.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1188 1.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2821 -2.1075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6780 -2.7993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1645 -0.2474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3674 -0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 -1.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -2.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5369 -1.8694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7665 -0.2858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3542 2.1387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.9488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -1.3473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 -3.3408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1663 -0.9162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1663 0.5296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 2.9541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 -3.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 -2.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1046 3.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4822 3.9608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8646 3.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -3.2914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.9114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 12 1 0 0 0 0 2 28 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 51 1 0 0 0 0 5 23 1 0 0 0 0 5 52 1 0 0 0 0 6 20 2 0 0 0 0 7 28 2 0 0 0 0 8 32 1 0 0 0 0 8 35 1 0 0 0 0 9 34 1 0 0 0 0 9 36 1 0 0 0 0 10 34 2 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 24 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 21 2 0 0 0 0 16 19 2 0 0 0 0 16 25 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 30 1 0 0 0 0 26 47 1 0 0 0 0 27 31 2 0 0 0 0 27 48 1 0 0 0 0 28 29 1 0 0 0 0 29 33 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 30 53 1 0 0 0 0 31 32 1 0 0 0 0 31 54 1 0 0 0 0 33 34 1 0 0 0 0 33 55 1 0 0 0 0 33 56 1 0 0 0 0 35 57 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 M END > 16745759 > 1 > 1010 > 10 > 2 > 11 > AAADceB6PAAAEAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgBACAABjGzhmAYyDoMABgCIAqTWSAKCCAAgIgAIiAFODOguNjKMsR+GcChlwBGYqcfb2AIOIAAAAAAAAABAAAAAAAAAAAAAAAAAAA== > O4-[5-bromo-2-[2-hydroxy-1-(hydroxymethyl)ethyl]-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolyl] O1-methyl butanedioate > butanedioic acid O4-[5-bromo-2-(1,3-dihydroxypropan-2-yl)-3-(4-methoxyphenyl)-7-methyl-6,8-dioxo-7-isoquinolinyl] ester O1-methyl ester > 4-O-[5-bromo-2-(1,3-dihydroxypropan-2-yl)-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate > 4-O-[5-bromo-2-(1,3-dihydroxypropan-2-yl)-3-(4-methoxyphenyl)-7-methyl-6,8-dioxoisoquinolin-7-yl] 1-O-methyl butanedioate > O4-[2-[1,3-bis(oxidanyl)propan-2-yl]-5-bromanyl-3-(4-methoxyphenyl)-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] O1-methyl butanedioate > succinic acid O4-[5-bromo-2-(2-hydroxy-1-methylol-ethyl)-6,8-diketo-3-(4-methoxyphenyl)-7-methyl-7-isoquinolyl] ester O1-methyl ester > InChI=1S/C25H26BrNO9/c1-25(36-21(31)9-8-20(30)35-3)23(32)18-11-27(15(12-28)13-29)19(10-17(18)22(26)24(25)33)14-4-6-16(34-2)7-5-14/h4-7,10-11,15,28-29H,8-9,12-13H2,1-3H3 > QHERDWIYONWBOM-UHFFFAOYSA-N > 1.5 > 563.07909 > C25H26BrNO9 > 564.4 > CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C(CO)CO)OC(=O)CCC(=O)OC > CC1(C(=O)C2=CN(C(=CC2=C(C1=O)Br)C3=CC=C(C=C3)OC)C(CO)CO)OC(=O)CCC(=O)OC > 140 > 563.07909 > 0 > 36 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 24 3 25 26 8 25 27 8 26 30 8 27 31 8 30 32 8 31 32 8 $$$$