Ketcher 06012014162D 1 1.00000 0.00000 0 22 23 0 1 0 999 V2000 13.9805 -6.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7189 -4.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2490 -6.6538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7189 -7.6425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4505 -6.6428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9936 -8.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2686 -9.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4505 -4.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 -8.6645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1215 -5.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9873 -3.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8531 -6.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7189 -6.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1181 -7.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8531 -5.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5847 -6.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1245 -8.1477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2620 -8.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5847 -5.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3930 -8.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3865 -7.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9873 -4.6433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 14 1 1 1 0 0 2 15 1 0 0 0 2 19 1 0 0 0 3 14 1 0 0 0 3 21 1 0 0 0 13 4 1 1 0 0 16 5 1 6 0 0 17 6 1 6 0 0 18 7 1 1 0 0 19 8 1 1 0 0 20 9 1 6 0 0 10 22 1 0 0 0 11 22 2 0 0 0 12 13 1 0 0 0 12 15 1 0 0 0 13 16 1 0 0 0 14 17 1 0 0 0 15 22 1 1 0 0 16 19 1 0 0 0 17 18 1 0 0 0 18 20 1 0 0 0 20 21 1 0 0 0 M END > CHEBI:151572 > beta-D-Xylp-(1->4)-beta-D-GlcpA > A β-D-Xylp-(1→4)-D-GlcpA in which the carbon bearing the anomeric hydroxy group has β configuration. > 3 > WURCS=2.0/2,2,1/[a2122A-1b_1-5][a212h-1b_1-5]/1-2/a4-b1; beta-D-xylo-pentopyranosyl-(1->4)-beta-D-gluco-hexopyranuronic acid; (2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxane-2-carboxylic acid > Xyl(b1-4)b-GlcA; 4-O-beta-D-xylopyranosyl-beta-D-glucopyranuronic acid > C11H18O11 > 326.254 > 326.08491 > 0 > O([C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1C(O)=O)O)[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O > InChI=1S/C11H18O11/c12-2-1-20-11(6(16)3(2)13)22-7-4(14)5(15)10(19)21-8(7)9(17)18/h2-8,10-16,19H,1H2,(H,17,18)/t2-,3+,4-,5-,6-,7+,8+,10-,11+/m1/s1 > BJARJTXSNPSJPZ-WOCSQNJBSA-N $$$$