null CDK 0224162205 null 31 34 0 0 0 0 0 0 0 0999 V2000 3.1194 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 1.8010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4049 2.2135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 1.8010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8655 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 0.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2821 2.3843 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5148 2.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7283 1.3739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0982 2.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 2.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1907 1.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2281 2.6105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 3.0598 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4049 -0.2615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6905 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1194 -0.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8339 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 0.9760 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5483 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9773 0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2628 0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 2.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6918 3.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 1.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 1 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 8 9 2 0 0 0 0 7 10 1 1 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 14 1 0 0 0 0 3 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 23 1 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 M CHG 1 21 -1 M CHG 1 23 1 M END > CHEBI:95345 > (6R,7R)-3-[(4-carbamoyl-1-pyridin-1-iumyl)methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate > 2 > C20H18N4O5S2 > 458.514 > 458.07186 > 0 > C1C(=C(N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])C[N+]4=CC=C(C=C4)C(=O)N > InChI=1S/C20H18N4O5S2/c21-17(26)11-3-5-23(6-4-11)9-12-10-31-19-15(18(27)24(19)16(12)20(28)29)22-14(25)8-13-2-1-7-30-13/h1-7,15,19H,8-10H2,(H3-,21,22,25,26,28,29)/t15-,19-/m1/s1 > FMZXNVLFJHCSAF-DNVCBOLYSA-N > LSM-6717 $$$$