Mrv0541 03161510022D 20 21 0 0 0 0 999 V2000 4.8415 -0.7902 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5587 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5587 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8415 0.8410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1243 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 -0.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7322 0.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4493 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2618 0.8410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 1.6566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9508 0.4332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4603 1.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0191 -0.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3032 -0.3871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3005 0.4379 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5901 -0.8019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5928 -1.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1257 -0.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 6 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 2 0 0 0 0 11 3 1 0 0 0 0 5 4 1 0 0 0 0 6 5 2 0 0 0 0 10 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 2 0 0 0 0 9 8 1 0 0 0 0 10 9 2 0 0 0 0 12 11 2 0 0 0 0 13 11 1 0 0 0 0 10 14 1 0 0 0 0 8 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 19 18 2 0 0 0 0 20 18 1 0 0 0 0 16 18 1 0 0 0 0 M END > CHEBI:84301 > 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid > A member of the class of benzothiazines that is 2H-1,4-benzothiazine-3-carboxylic acid bearing additional hydroxy and 2-amino-2-carboxyethyl substituents at positions 5 and 7 respectively. > 3 > 7-(2-amino-2-carboxyethyl)-5-hydroxy-2H-1,4-benzothiazine-3-carboxylic acid > C12H12N2O5S > 296.29900 > 296.04669 > 0 > NC(Cc1cc(O)c2N=C(CSc2c1)C(O)=O)C(O)=O > InChI=1S/C12H12N2O5S/c13-6(11(16)17)1-5-2-8(15)10-9(3-5)20-4-7(14-10)12(18)19/h2-3,6,15H,1,4,13H2,(H,16,17)(H,18,19) > MYILHSJZODALKH-UHFFFAOYSA-N > 9001365 > 18435615 $$$$