Ketcher 07091511242D 1 1.00000 0.00000 0 21 22 0 0 0 999 V2000 1.9500 -0.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -1.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8160 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -2.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -2.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2088 0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -0.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 0.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -3.6750 0.0000 A 0 0 0 0 0 0 0 0 0 0 0 0 1.9500 -3.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -2.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2180 -3.6750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6481 -4.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0840 -4.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7526 -5.1695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7308 -5.3775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2308 -4.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5616 -3.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 1 1 0 0 0 1 7 1 0 0 0 1 8 1 0 0 0 6 9 1 1 0 0 3 10 1 1 0 0 9 11 1 0 0 0 10 12 1 0 0 0 4 13 1 6 0 0 5 14 1 6 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 2 0 0 0 16 18 1 0 0 0 18 19 1 0 0 0 19 20 2 0 0 0 20 21 1 0 0 0 21 16 2 0 0 0 M END > CHEBI:86404 > chlorobiocin-like antibiotic > 2 > C13H18NO6 > 284.28510 > 284.11341 > 0 > CO[C@@H]1[C@@H](OC(=O)c2ccc[nH]2)[C@@H](O)[C@H](O*)OC1(C)C > 12898629 $$$$