Ketcher 10232011472D 1 1.00000 0.00000 0 57 63 0 1 0 999 V2000 9.6415 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4549 -8.2722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -5.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -8.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -9.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 -8.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 -9.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6415 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 -6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4931 -5.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -8.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -9.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 -4.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -6.3053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 -5.8136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6415 -5.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8960 -4.3719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 -6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9380 -5.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -3.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -4.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2347 -5.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 -6.7970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9467 -6.4371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4549 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4384 -7.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 -5.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 -5.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4549 -5.3218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4549 -4.3384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 -8.7639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 -10.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 -11.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -10.7904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7516 -12.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3916 -13.6090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -12.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4081 -13.6090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 -11.2821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -10.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0482 -12.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1966 -12.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 -12.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6032 -12.7573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4549 -12.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8998 -14.4607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7898 -3.8467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 -6.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17 2 1 0 0 0 16 1 1 0 0 0 1 14 2 0 0 0 14 3 1 0 0 0 10 2 1 0 0 0 2 3 2 0 0 0 3 12 1 0 0 0 10 4 1 0 0 0 12 5 1 0 0 0 6 4 1 0 0 0 4 5 2 0 0 0 5 19 1 0 0 0 6 7 2 0 0 0 19 8 2 0 0 0 32 7 1 0 0 0 7 8 1 0 0 0 8 40 1 0 0 0 32 34 1 0 0 0 40 9 1 0 0 0 9 34 1 0 0 0 10 11 2 0 0 0 12 13 2 0 0 0 14 15 1 0 0 0 26 16 1 0 0 0 17 16 2 0 0 0 17 18 1 0 0 0 24 23 1 1 0 0 24 18 1 0 0 0 26 23 1 1 0 0 19 20 1 0 0 0 24 21 1 0 0 0 21 28 1 0 0 0 28 22 1 0 0 0 22 26 1 0 0 0 24 25 1 1 0 0 26 27 1 1 0 0 28 30 1 1 0 0 30 29 1 0 0 0 30 31 1 0 0 0 32 37 1 1 0 0 34 33 1 1 0 0 34 35 1 6 0 0 37 36 2 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 42 41 1 1 0 0 44 42 1 0 0 0 43 42 1 0 0 0 43 48 1 0 0 0 48 50 1 0 0 0 50 46 1 0 0 0 46 44 1 0 0 0 44 53 1 6 0 0 46 45 1 6 0 0 46 47 1 1 0 0 48 49 1 6 0 0 50 51 1 1 0 0 51 52 1 0 0 0 53 54 1 0 0 0 40 41 1 6 0 0 45 55 1 0 0 0 21 56 1 6 0 0 22 57 1 6 0 0 M END > CHEBI:44504 > nogalamycin > An anthracycline antibiotic isolated from Streptomyces nogalater. It is a DNA intercalator and exhibits anticancer properties. > 3 > U-15167; U 15167; antibiotic 205t3 > methyl (2R,3S,4R,5R,6R,11S,13S,14R)-11-[(6-deoxy-3-C-methyl-2,3,4-tri-O-methyl-alpha-L-mannopyranosyl)oxy]-4-(dimethylamino)-3,5,8,10,13-pentahydroxy-6,13-dimethyl-9,16-dioxo-3,4,5,6,9,11,12,13,14,16-decahydro-2H-2,6-epoxytetraceno[1,2-b]oxocine-14-carboxylate > nogalamycinum; nogalamycine; nogalamycin; nogalamicina > C39H49NO16 > 739.80530 > 739.32039 > 0 > [H][C@@]12OC3=C(C=C(O)C4=C3C(=O)C3=C(C(O)=C5[C@H](C[C@](C)(O)[C@H](C(=O)OC)C5=C3)O[C@@H]3O[C@@H](C)[C@H](OC)[C@@](C)(OC)[C@H]3OC)C4=O)[C@@](C)(O1)[C@H](O)[C@H]([C@@H]2O)N(C)C > InChI=1S/C39H49NO16/c1-14-32(49-7)39(4,52-10)33(50-8)36(53-14)54-19-13-37(2,48)24(34(47)51-9)15-11-16-21(27(43)20(15)19)28(44)22-18(41)12-17-30(23(22)26(16)42)55-35-29(45)25(40(5)6)31(46)38(17,3)56-35/h11-12,14,19,24-25,29,31-33,35-36,41,43,45-46,48H,13H2,1-10H3/t14-,19-,24-,25-,29-,31+,32-,33-,35+,36-,37-,38+,39+/m0/s1 > KGTDRFCXGRULNK-JYOBTZKQSA-N > 1404-15-5 > 1404-15-5 > C18633 > D05198 > CPD-15795 > NGM > Nogalamycin > 10395824; 15159574; 15299703; 17046298; 18640097; 1991116; 22073550; 22120896; 2261474; 22633415; 22804797; 25524457; 26214900; 27114534; 27183010; 30114358; 30525623; 30584840; 31876382; 32557994; 7237423; 7819233; 8662899 $$$$