13991661 CDK 0928211108 32 34 0 0 0 0 0 0 0 0999 V2000 5.9369 0.8250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4078 -2.1917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8559 0.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5079 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2223 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0789 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0218 -1.6407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6857 -0.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8236 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9369 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2361 -2.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -1.0988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -2.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4736 -1.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7934 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 22 1 0 0 0 0 4 14 1 0 0 0 0 4 23 1 0 0 0 0 5 17 1 0 0 0 0 5 31 1 0 0 0 0 6 18 2 0 0 0 0 7 19 2 0 0 0 0 8 22 2 0 0 0 0 9 23 2 0 0 0 0 10 31 2 0 0 0 0 11 12 1 0 0 0 0 11 18 1 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 26 2 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 31 32 1 0 0 0 0 M END > CHEBI:180622 > Methyl 3,4,6-tri-O-acetyl-2-deoxy-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-thiohexopyranoside > 2 > [3,4-diacetyloxy-5-(1,3-dioxoisoindol-2-yl)-6-methylsulanyloxan-2-yl]methyl acetate > C21H23NO9S > 465.470 > 465.10935 > 0 > S(C1OC(C(OC(=O)C)C(OC(=O)C)C1N2C(=O)C=3C(C2=O)=CC=CC3)COC(=O)C)C > InChI=1S/C21H23NO9S/c1-10(23)28-9-15-17(29-11(2)24)18(30-12(3)25)16(21(31-15)32-4)22-19(26)13-7-5-6-8-14(13)20(22)27/h5-8,15-18,21H,9H2,1-4H3 > QNHCRERIIKDXAI-UHFFFAOYSA-N $$$$