49789167 -OEChem-03282410052D 49 52 0 1 0 0 0 0 0999 V2000 2.8660 3.3175 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 -0.9872 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0920 -1.0485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5920 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5920 -0.1825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5920 1.5496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 -2.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0084 0.6222 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3175 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0920 0.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5920 -0.1825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0920 0.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0920 -1.0485 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5920 -0.1825 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5920 -1.9145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5920 -0.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 1.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9020 -0.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4720 0.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7820 -1.5855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1670 -0.9186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -2.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0670 -1.5160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2120 1.5496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9020 -0.7194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9020 2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4020 -3.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.8025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.9925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 11 4 1 1 0 0 0 4 38 1 0 0 0 0 12 5 1 1 0 0 0 5 39 1 0 0 0 0 13 6 1 6 0 0 0 6 40 1 0 0 0 0 7 16 1 0 0 0 0 7 41 1 0 0 0 0 8 24 2 0 0 0 0 9 17 2 0 0 0 0 9 18 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 45 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 1 0 0 0 14 34 1 0 0 0 0 15 17 1 0 0 0 0 15 35 1 6 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 M END > 49789167 > 1 > 618 > 8 > 5 > 4 > AAADceB7OABEAAAAAAAAAAAAAAAAAWAAAAA0YIAAAAAAAFgB9AAAHgYQCAAADB6h3iIwwbLIFgisAyVyVASD8KBlDzhImD0wZtgLMLLhl5GHYQhnlAD7yYf8+CaOEAAAQAIAAQAgAACABAACAAAAAAAAAA== > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,3-benzothiazole-5-carboxamide > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]-1,3-benzothiazole-5-carboxamide > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1,3-benzothiazole-5-carboxamide > N-(3-chlorophenyl)-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]-1,3-benzothiazole-5-carboxamide > InChI=1S/C20H19ClN2O6S/c21-10-2-1-3-11(7-10)22-19(28)9-4-5-14-12(6-9)23-20(30-14)18-17(27)16(26)15(25)13(8-24)29-18/h1-7,13,15-18,24-27H,8H2,(H,22,28)/t13-,15+,16+,17-,18-/m1/s1 > XGQFTZKRHRMLPE-PLLDYVMSSA-N > 1.4 > 450.0652352 > C20H19ClN2O6S > 450.9 > C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)SC(=N3)C4C(C(C(C(O4)CO)O)O)O > C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=C2)SC(=N3)[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O > 160 > 450.0652352 > 0 > 30 > 5 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 14 16 5 15 35 6 18 19 8 18 20 8 19 21 8 2 17 8 2 19 8 20 22 8 21 23 8 22 23 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 11 4 5 12 5 5 13 6 6 9 17 8 9 18 8 $$$$