Ketcher 02182013402D 1 1.00000 0.00000 0 23 23 0 1 0 999 V2000 21.3072 -8.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4410 -8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4410 -9.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3072 -10.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 -9.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0393 -8.4932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3071 -11.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9051 -8.9932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0393 -7.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7090 -8.9929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5752 -7.4931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8430 -8.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7090 -9.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9770 -8.9929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4411 -7.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 -8.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 -7.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -10.4931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.4411 -11.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5751 -11.4931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7090 -11.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4411 -12.9931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 2 10 1 0 0 0 2 16 1 1 0 0 2 3 1 0 0 0 3 19 1 1 0 0 3 4 1 0 0 0 4 7 1 6 0 0 4 5 1 0 0 0 1 17 1 0 0 0 17 5 1 0 0 0 17 6 1 0 0 0 6 8 1 0 0 0 6 9 2 0 0 0 10 11 1 0 0 0 10 12 1 1 0 0 11 13 1 0 0 0 11 14 1 6 0 0 13 15 1 0 0 0 17 18 1 0 0 0 19 21 1 0 0 0 21 20 1 0 0 0 21 22 2 0 0 0 20 23 1 0 0 0 M END > CHEBI:146193 > N-glycoloylneuraminic acid > 2 > C11H19NO10 > 325.270 > 325.10090 > 0 > O1[C@]([C@@H]([C@@H](CO)O)O)([H])[C@H](NC(CO)=O)[C@@H](O)CC1(C(O)=O)O > InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11?/m0/s1 > FDJKUWYYUZCUJX-PGIATKPXSA-N > C03410 $$$$