70548402 -OEChem-03292410232D 36 37 0 1 0 0 0 0 0999 V2000 7.3036 1.0405 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 -0.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9434 -2.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5907 -1.7365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.8614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 -0.2685 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3525 0.7315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3442 0.7357 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3036 -0.5775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8913 0.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 -0.2726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6386 1.4442 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.7004 0.8193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7004 -0.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6126 -1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8994 2.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 1.8960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2213 1.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7712 0.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8652 -1.0159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4769 0.8457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0648 0.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 1.1837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3359 1.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3359 -0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 -0.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0648 0.1453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 2.2479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0611 3.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3008 2.5713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1350 -2.8614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 2.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 1.4799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 1.0399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 12 2 0 0 0 0 4 16 1 0 0 0 0 4 33 1 0 0 0 0 5 16 2 0 0 0 0 6 18 2 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 6 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 6 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 13 17 1 0 0 0 0 13 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 M END > 70548402 > 1 > 449 > 6 > 1 > 4 > AAADceByOABAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgQACAAADTzlwAaCCAMABggIAAGQGAAAAABAABAAAAGIAAACABwggCAGQAAGJgCwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R)-6-(1-acetoxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-(1-acetyloxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-(1-acetyloxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-(1-acetyloxyethyl)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-(1-acetyloxyethyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R)-6-(1-acetoxyethyl)-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/C12H17NO5S/c1-5(18-6(2)14)7-9(15)13-8(11(16)17)12(3,4)19-10(7)13/h5,7-8,10H,1-4H3,(H,16,17)/t5?,7?,8-,10+/m0/s1 > GFSMCADOJGVLNL-HOSDLUMRSA-N > 1.4 > 287.08274382 > C12H17NO5S > 287.33 > CC(C1C2N(C1=O)C(C(S2)(C)C)C(=O)O)OC(=O)C > CC(C1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O)OC(=O)C > 109 > 287.08274382 > 0 > 19 > 2 > 2 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 16 6 13 17 3 8 20 6 9 12 3 $$$$