Ketcher 07121813242D 1 1.00000 0.00000 0 38 41 0 1 0 999 V2000 20.6035 -10.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6035 -11.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7378 -10.2068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7378 -12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8722 -10.7066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8722 -11.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9243 -11.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8653 -9.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3308 -10.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9122 -9.4053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6225 -11.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2968 -12.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6462 -12.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3443 -13.1436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3312 -10.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7378 -9.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6049 -9.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 -9.2158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4692 -12.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7378 -13.2057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8721 -13.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6034 -13.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6049 -14.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7400 -15.2122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4714 -15.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3393 -14.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2049 -15.2111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0705 -14.7115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2049 -16.2106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0801 -13.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0181 -15.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.6134 -14.2265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0337 -13.4121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3178 -15.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2771 -13.1166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4721 -10.2068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8707 -8.7134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6064 -12.7179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 1 3 1 1 0 0 4 2 1 0 0 0 5 3 1 1 0 0 6 4 1 0 0 0 5 6 1 6 0 0 7 5 1 0 0 0 5 8 1 0 0 0 9 7 1 0 0 0 10 8 1 0 0 0 10 9 1 0 0 0 12 11 2 0 0 0 13 11 1 0 0 0 14 13 1 0 0 0 7 11 1 1 0 0 9 15 1 1 0 0 8 16 1 0 0 0 16 17 1 0 0 0 1 17 1 0 0 0 17 18 2 0 0 0 2 19 1 6 0 0 4 20 1 0 0 0 20 21 1 1 0 0 20 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 23 25 1 0 0 0 25 26 2 0 0 0 26 27 1 0 0 0 27 28 2 0 0 0 27 29 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 30 33 1 0 0 0 28 30 1 0 0 0 28 31 1 0 0 0 31 34 2 0 0 0 30 35 2 0 0 0 1 36 1 1 0 0 8 37 1 6 0 0 4 38 1 6 0 0 M END > CHEBI:138066 > nocamycin I > An organic heterotricyclic compound and tetramic acid derivative originally isolated from an unidentified oligosporic actinomycete strain (no. E864-861) and found to be active against both Gram-positive and Gram-negative anaerobic bacteria as well as some aerobic bacteria such as Streptococci. The methyl ester of nocamycin E. > 3 > methyl (1S,2S,3R,5S,8S,9R,10R)-10-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-3,5,9-trimethyl-7-oxo-4,11,12-trioxatricyclo[6.3.1.0(1,5)]dodecane-2-carboxylate; Bu-2313B; BU 2313B; Antibiotic BU 2313B; (-)-nocamycin I > methyl (2R,3S,3aS,5R,6R,7S,9aS)-5-[(2R,3E,5E,7E)-7-(2,4-dioxopyrrolidin-3-ylidene)-7-hydroxy-4-methylhepta-3,5-dien-2-yl]-2,6,9a-trimethyl-8-oxooctahydro-3a,7-epoxyfuro[3,2-b]oxocine-3-carboxylate > C26H33NO9 > 503.543 > 503.21553 > 0 > [C@]12([C@@H]([C@](O[C@]3(O1)[C@H]([C@H](O[C@]3(CC2=O)C)C)C(=O)OC)([C@H](C)/C=C(\C)/C=C/C(=C/4\C(NCC4=O)=O)/O)[H])C)[H] > InChI=1S/C26H33NO9/c1-12(7-8-16(28)19-18(30)11-27-23(19)31)9-13(2)21-14(3)22-17(29)10-25(5)26(35-21,36-22)20(15(4)34-25)24(32)33-6/h7-9,13-15,20-22,28H,10-11H2,1-6H3,(H,27,31)/b8-7+,12-9+,19-16+/t13-,14-,15-,20-,21-,22+,25+,26+/m1/s1 > DTURANKMSHIDDI-GMYASLLUSA-N > CPD-18224 > 28818448; 6920296 $$$$