Ketcher 05142011062D 1 1.00000 0.00000 0 69 73 0 0 0 999 V2000 -4.8634 -18.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -18.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -19.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -18.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -20.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 -18.7555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 -19.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -20.2560 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -21.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3294 -20.2560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3294 -18.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1955 -18.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8636 -21.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -21.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -21.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 -21.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 -22.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3293 -21.2565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3293 -23.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1955 -21.7566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1955 -22.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -23.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3293 -24.2577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0618 -23.2576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0618 -21.2565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9283 -21.7567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1127 -24.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9460 -24.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1127 -25.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 -25.3844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8132 -24.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9460 -26.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4454 -24.8842 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 -26.3847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8132 -25.9178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9460 -27.3848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6446 -24.4185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5054 -24.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4232 -24.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3125 -24.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7715 -23.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6446 -23.3721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5510 -25.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6802 -26.4178 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6802 -27.4515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5804 -27.9517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8132 -27.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -15.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -15.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -17.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -17.2548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -13.2533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -16.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -15.2541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3347 -13.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8634 -17.2548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -16.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -16.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -15.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7298 -15.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -14.7538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3980 -15.2541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2644 -13.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5962 -15.2540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 -14.7539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5317 -13.7534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1308 -13.2533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4626 -15.7542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9971 -13.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 2 1 1 1 0 0 3 8 1 6 0 0 5 9 1 1 0 0 7 10 1 6 0 0 6 11 1 1 0 0 12 11 1 0 0 0 14 13 2 0 0 0 15 13 1 0 0 0 8 13 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 21 1 0 0 0 17 22 1 6 0 0 19 23 1 1 0 0 21 24 1 1 0 0 20 25 1 1 0 0 26 25 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 27 30 1 1 0 0 28 31 1 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 30 34 2 0 0 0 31 35 1 0 0 0 32 36 1 6 0 0 32 35 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 31 41 1 1 0 0 37 42 1 1 0 0 38 43 1 6 0 0 35 44 1 1 0 0 44 45 1 0 0 0 45 46 1 0 0 0 45 47 2 0 0 0 31 37 1 0 0 0 27 23 1 6 0 0 16 9 1 1 0 0 48 59 1 0 0 0 48 60 1 0 0 0 59 49 1 1 0 0 61 49 1 6 0 0 57 50 1 6 0 0 58 51 1 1 0 0 52 63 1 0 0 0 52 66 1 0 0 0 62 53 1 1 0 0 65 54 1 6 0 0 55 66 1 0 0 0 56 57 1 0 0 0 56 58 1 0 0 0 57 59 1 0 0 0 58 60 1 0 0 0 60 64 1 1 0 0 61 62 1 0 0 0 61 63 1 0 0 0 62 65 1 0 0 0 63 67 1 1 0 0 65 66 1 0 0 0 56 1 1 1 0 0 64 68 1 0 0 0 67 69 1 0 0 0 M CHG 1 33 -1 M END > CHEBI:149746 > alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-beta-D-Galp-(1->4)-D-Glcp(1-) > 2 > N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosamine-(1->3)-beta-D-galactose-(1->4)-D-glucose; alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-D-Glc > C37H61N2O29 > 997.881 > 997.33655 > -1 > O([C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@]3(O[C@@]([C@@H]([C@H](C3)O)NC(C)=O)([H])[C@@H]([C@@H](CO)O)O)C([O-])=O)O)NC(=O)C)[C@@H]4[C@@H](O)[C@@H](O[C@@H]([C@@H]4O)CO)O[C@H]5[C@H](O)[C@@H](O)C(O[C@@H]5CO)O > InChI=1S/C37H62N2O29/c1-9(45)38-17-11(47)3-37(36(58)59,67-29(17)19(49)12(48)4-40)68-31-22(52)15(7-43)63-35(26(31)56)65-28-18(39-10(2)46)33(61-13(5-41)20(28)50)66-30-21(51)14(6-42)62-34(25(30)55)64-27-16(8-44)60-32(57)24(54)23(27)53/h11-35,40-44,47-57H,3-8H2,1-2H3,(H,38,45)(H,39,46)(H,58,59)/p-1/t11-,12+,13+,14+,15+,16+,17+,18+,19+,20+,21-,22-,23+,24+,25+,26+,27+,28+,29+,30-,31-,32?,33-,34-,35-,37-/m0/s1 > IOAPDMZSLCJVCR-OYHBKBROSA-M $$$$