Marvin 10220917112D 57 59 0 0 1 0 999 V2000 8.8842 -10.1138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2967 -10.8283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0591 -10.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8841 -11.5428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6466 -10.8283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0591 -11.5427 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1217 -10.8283 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2965 -12.2573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6466 -12.2572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8216 -10.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4091 -11.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5341 -11.5428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3591 -11.5428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1215 -12.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2967 -9.3993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 -7.3368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 -8.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2967 -6.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2967 -8.5743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5822 -7.3368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5822 -8.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7257 -8.5743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -8.5743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -6.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7257 -9.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4401 -9.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 -9.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7257 -6.9243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1547 -6.9243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4402 -6.5118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4402 -5.6868 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7257 -5.2743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7257 -4.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1547 -7.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1547 -5.2743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 -5.6868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0112 -4.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8691 -8.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8691 -6.5118 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5836 -6.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2981 -6.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5836 -7.7493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 -6.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1533 -8.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -8.5742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1533 -7.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7243 -8.1617 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4388 -6.9242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7244 -7.3367 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4388 -9.3993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 -8.5742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 -6.9242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -6.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7244 -5.6867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 -9.8118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7242 -10.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0098 -9.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 1 0 0 0 0 5 6 1 0 0 0 0 2 7 1 6 0 0 0 4 8 1 1 0 0 0 6 9 1 1 0 0 0 5 10 1 1 0 0 0 11 10 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 7 12 1 0 0 0 0 1 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 19 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 17 22 1 6 0 0 0 19 15 1 1 0 0 0 21 23 1 6 0 0 0 20 24 1 1 0 0 0 26 25 2 0 0 0 0 27 25 1 0 0 0 0 22 25 1 0 0 0 0 16 28 1 0 0 0 0 30 29 1 0 0 0 0 31 30 1 0 0 0 0 32 31 1 0 0 0 0 33 32 1 0 0 0 0 34 29 1 0 0 0 0 30 28 1 1 0 0 0 31 35 1 6 0 0 0 32 36 1 6 0 0 0 37 33 1 0 0 0 0 38 34 1 0 0 0 0 29 39 1 1 0 0 0 41 40 1 0 0 0 0 42 40 2 0 0 0 0 39 40 1 0 0 0 0 24 43 1 0 0 0 0 44 45 1 0 0 0 0 44 46 1 0 0 0 0 45 47 1 0 0 0 0 46 48 1 0 0 0 0 47 49 1 0 0 0 0 48 49 1 0 0 0 0 44 23 1 0 0 0 0 45 50 1 6 0 0 0 47 51 1 1 0 0 0 49 52 1 1 0 0 0 48 53 1 1 0 0 0 54 53 1 0 0 0 0 56 55 2 0 0 0 0 57 55 1 0 0 0 0 50 55 1 0 0 0 0 M END > CHEBI:53489 > D-GalNAc-(1->3)-[D-GalNAc-(1->4)]-D-GalNAc-(1->3)-D-GalNAc-ol > An amino tetrasaccharide consisting of a D-GalNAc-(1→3)-[D-GalNAc-(1→4)]-D-GalNAc moiety attached to N-acetyl-D-galactosaminitol via a (1→3)-linkage. > 3 > HPG-Beta2-N4b > 2-acetamido-2-deoxy-D-galactopyranosyl-(1->3)-[2-acetamido-2-deoxy-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-D-glucopyranosyl-(1->3)-2-acetamido-2-deoxy-D-galactitol > C32H56N4O21 > 832.80120 > 832.34370 > 0 > CC(=O)N[C@@H](CO)[C@@H](OC1O[C@H](CO)[C@@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H](OC2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)[C@H]1NC(C)=O)[C@@H](O)[C@H](O)CO > InChI=1S/C32H56N4O21/c1-10(42)33-14(5-37)27(22(47)15(46)6-38)55-32-21(36-13(4)45)29(57-31-20(35-12(3)44)26(51)24(49)17(8-40)53-31)28(18(9-41)54-32)56-30-19(34-11(2)43)25(50)23(48)16(7-39)52-30/h14-32,37-41,46-51H,5-9H2,1-4H3,(H,33,42)(H,34,43)(H,35,44)(H,36,45)/t14-,15+,16+,17+,18+,19+,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30?,31?,32?/m0/s1 > DVDUNSWPZDVEGG-QSLANCFMSA-N > 2817893 $$$$