10943902 -OEChem-03282422052D 25 26 0 1 0 0 0 0 0999 V2000 5.6314 0.7791 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 -1.2426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 2.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9186 -1.9979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2713 -2.5331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 -0.5299 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6804 0.4701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6721 0.4743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6314 -0.8389 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6721 -0.5340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9665 1.1828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2192 -0.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -1.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5491 1.3099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8865 0.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1930 -1.2773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5290 1.6221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 -0.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6800 0.3850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8408 1.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 0.7668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1592 0.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7898 2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1102 -2.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 10 2 0 0 0 0 11 3 1 1 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 25 1 0 0 0 0 5 13 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 15 1 6 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 1 0 0 0 9 12 1 0 0 0 0 9 13 1 6 0 0 0 9 17 1 0 0 0 0 11 14 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 M END > 10943902 > 1 > 295 > 5 > 2 > 2 > AAADccByOABAAAAAAAAAAAAAAABYAWAAAAAAAAAABYAAAAAAAAAAHgQACAAADTzlwAaCCAMAAggIAAGQGAAAAABAABAAAAGIAAACEBwggCAEQAACJgCwAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6S)-6-[(1R)-1-oxidanylethyl]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > (2S,5R,6S)-6-[(1R)-1-hydroxyethyl]-7-keto-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > InChI=1S/C8H11NO4S/c1-3(10)5-6(11)9-4(8(12)13)2-14-7(5)9/h3-5,7,10H,2H2,1H3,(H,12,13)/t3-,4-,5+,7-/m1/s1 > UKJJIQJFHVIRHC-YCHQMNKZSA-N > 0 > 217.04087901 > C8H11NO4S > 217.24 > CC(C1C2N(C1=O)C(CS2)C(=O)O)O > C[C@H]([C@@H]1[C@@H]2N(C1=O)[C@H](CS2)C(=O)O)O > 103 > 217.04087901 > 0 > 14 > 4 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 3 5 7 15 6 8 16 5 9 13 6 $$$$