Ketcher 08161816182D 1 1.00000 0.00000 0 83 87 0 1 0 999 V2000 9.0436 -6.1965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9582 -2.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9582 -1.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1487 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8350 -0.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1487 0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2716 -1.1036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8350 0.3808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6785 -1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9582 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2716 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3946 -1.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6785 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3946 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -1.1372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5216 1.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -3.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2716 -3.1609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 -1.6430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5216 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 0.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -4.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2716 -4.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3986 2.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6785 2.8093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2419 1.3587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3649 -0.1252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -3.1609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1487 -4.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3946 -4.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2419 2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1188 0.8529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1188 2.8093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8015 2.3368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3946 0.3132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9206 -1.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 -4.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -4.1392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -4.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -5.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -6.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6408 -5.6571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0098 -4.1392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7637 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -6.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0098 -3.1272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9953 2.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8046 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6471 2.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8046 3.7869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5236 2.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6808 1.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7928 4.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.4001 2.3373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9729 5.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6942 5.2186 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 26.2767 2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1532 2.3711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0297 2.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.9062 2.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7152 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5916 2.4048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4681 2.9105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3447 2.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.2211 2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0976 2.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9740 2.9441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8507 2.4721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6596 2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6415 -7.6808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6415 -8.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5179 -7.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3941 -7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3940 -8.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5176 -9.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2703 -7.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2703 -9.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5176 -10.2103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7651 -9.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5358 2.4719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4122 2.9778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 2 1 1 0 0 3 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 4 7 1 1 0 0 5 8 1 0 0 0 5 9 1 6 0 0 6 10 1 0 0 0 6 11 1 1 0 0 12 7 1 1 0 0 8 13 1 1 0 0 12 14 1 0 0 0 12 15 1 0 0 0 16 13 1 6 0 0 14 17 1 0 0 0 14 18 1 6 0 0 15 19 1 0 0 0 16 20 1 0 0 0 16 21 1 0 0 0 17 22 1 0 0 0 17 23 1 1 0 0 18 24 1 0 0 0 19 25 1 1 0 0 20 26 1 0 0 0 20 27 1 1 0 0 21 28 1 0 0 0 21 29 1 1 0 0 22 30 1 1 0 0 24 31 1 0 0 0 24 32 2 0 0 0 26 33 1 0 0 0 28 34 1 6 0 0 33 35 1 1 0 0 8 10 1 0 0 0 19 22 1 0 0 0 28 33 1 0 0 0 27 36 1 0 0 0 11 37 1 0 0 0 25 38 1 0 0 0 39 23 1 1 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 39 44 1 0 0 0 41 45 1 1 0 0 42 1 1 1 0 0 43 46 1 1 0 0 44 47 1 6 0 0 45 48 1 0 0 0 35 49 1 0 0 0 49 50 1 0 0 0 50 51 1 0 0 0 50 52 1 6 0 0 51 53 1 0 0 0 51 54 1 1 0 0 52 55 1 0 0 0 53 56 1 0 0 0 55 57 2 0 0 0 55 58 1 0 0 0 56 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 61 62 1 0 0 0 62 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 0 0 0 73 72 1 0 0 0 74 72 1 0 0 0 74 75 1 0 0 0 75 78 1 1 0 0 75 76 1 0 0 0 76 79 1 6 0 0 76 77 1 0 0 0 77 73 1 0 0 0 77 80 1 6 0 0 73 81 1 6 0 0 74 47 1 1 0 0 82 83 1 0 0 0 71 82 1 0 0 0 M END > CHEBI:141626 > alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:0) > 2 > ganglioside Fuc-GA1 (d20:0); Fuc-GA1(d20:0); alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyleicosasphinganine; alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:0) > C53H95N2O27R > 1192.321 > 1191.61222 > 0 > O[C@H]1[C@H](O[C@@H](O[C@@H]2[C@H]([C@H](O[C@@H]3[C@H](O)[C@H]([C@H](O[C@@H]4[C@H](O[C@@H](OC[C@@H]([C@@H](CCCCCCCCCCCCCCCCC)O)NC(=O)*)[C@@H]([C@H]4O)O)CO)O[C@@H]3CO)O)O[C@H](CO)[C@@H]2O)NC(C)=O)[C@@H]([C@H]1O)O[C@@H]5O[C@H]([C@H]([C@H]([C@@H]5O)O)O)C)CO $$$$