Ketcher 05152015232D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 9.5872 -4.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -6.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5872 -7.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -4.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3192 -4.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -7.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -6.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -4.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -2.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -2.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3192 -6.4848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7212 -5.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5872 -6.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -5.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7212 -4.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -4.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9890 -5.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8550 -4.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -6.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -5.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -4.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -4.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1230 -3.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3192 -7.4848 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4532 -7.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 -7.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8192 -8.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2570 -7.9847 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3910 -7.4848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7570 -8.8508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7571 -8.8507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 1 17 1 0 0 0 13 2 1 6 0 0 18 2 1 6 0 0 14 3 1 1 0 0 4 18 1 0 0 0 4 23 1 0 0 0 17 5 1 1 0 0 20 6 1 6 0 0 7 19 1 0 0 0 21 8 1 1 0 0 9 22 1 0 0 0 10 24 1 0 0 0 11 24 2 0 0 0 15 12 1 6 0 0 13 14 1 0 0 0 13 16 1 0 0 0 14 15 1 0 0 0 15 17 1 0 0 0 16 19 1 1 0 0 18 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 25 26 1 0 0 0 25 12 1 0 0 0 25 27 2 0 0 0 25 28 2 0 0 0 29 30 1 0 0 0 29 6 1 0 0 0 29 31 2 0 0 0 29 32 2 0 0 0 M END > CHEBI:147991 > 2-O-sulfo-beta-L-threo-hex-4-enopyranuronosyl-(1->4)-beta-D-GlcpNS > An oligosaccharide sulfate consisting of 2-O-sulfo-β-L-threo-hex-4-enopyranuronose and 2-deoxy-2-(sulfoamino)-β-D-glucopyranose joined in sequence by a (1→4) glycosidic bond. > 3 > WURCS=2.0/2,2,1/[a2122h-1b_1-5_2*NSO/3=O/3=O][a21EEA-1b_1-5_2*OSO/3=O/3=O]/1-2/a4-b1; (2S,3R,4R)-2-[(2R,3S,4R,5R,6R)-4,6-dihydroxy-2-(hydroxymethyl)-5-(sulfoamino)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid > 2-deoxy-2-(sulfoamino)-4-O-(2-O-sulfo-beta-L-threo-hex-4-enopyranuronosyl)-beta-D-glucopyranose > C12H19NO17S2 > 513.390 > 513.00944 > 0 > O1[C@@H]([C@@H](O[C@H]2OC(=C(O)[C@H](O)[C@H]2OS(O)(=O)=O)C(O)=O)[C@H](O)[C@@H](NS(O)(=O)=O)[C@@H]1O)CO > InChI=1S/C12H19NO17S2/c14-1-2-7(4(15)3(11(20)27-2)13-31(21,22)23)28-12-9(30-32(24,25)26)6(17)5(16)8(29-12)10(18)19/h2-4,6-7,9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,6+,7-,9-,11-,12+/m1/s1 > OEMNEHZTAKEHFK-XEWZJVERSA-N $$$$