Ketcher 07041806212D 1 1.00000 0.00000 0 68 71 0 1 0 999 V2000 14.4367 -5.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4367 -6.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5709 -5.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5709 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 -5.7298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7050 -6.7293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3023 -5.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 -5.2300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5709 -8.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3023 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -4.2300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1725 -5.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0346 -5.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9041 -5.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7661 -5.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9111 -6.7105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6356 -5.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4976 -5.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0397 -4.2181 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3639 -5.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0954 -5.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0954 -6.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2296 -5.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2296 -7.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3639 -6.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8271 -5.6995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8271 -6.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 -5.1996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9611 -7.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4981 -7.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6322 -6.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0457 -3.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1829 -2.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9390 -2.7345 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9735 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -7.2292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -9.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -7.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2420 -8.7288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -7.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -10.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3762 -9.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8392 -9.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3732 -6.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7585 -4.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3835 -10.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3819 -10.0149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9299 -10.9581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9265 -10.8534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4742 -11.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4726 -11.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0205 -12.6871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9248 -10.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 -12.5826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8358 -9.1241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -10.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2417 -11.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -10.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -12.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -10.7281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5101 -11.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 -10.2284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3759 -13.2273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6443 -12.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1076 -12.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6413 -9.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 2 1 0 0 0 5 3 1 0 0 0 6 4 1 0 0 0 6 5 1 0 0 0 1 7 1 1 0 0 5 8 1 1 0 0 4 9 1 1 0 0 6 10 1 6 0 0 2 11 1 6 0 0 8 12 1 0 0 0 7 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 15 17 1 1 0 0 16 18 1 0 0 0 18 19 1 0 0 0 14 20 1 6 0 0 19 21 1 0 0 0 24 22 1 0 0 0 25 23 1 0 0 0 21 24 1 0 0 0 26 25 1 0 0 0 28 27 1 0 0 0 29 27 1 0 0 0 30 28 1 0 0 0 22 29 1 0 0 0 23 30 1 0 0 0 26 31 1 0 0 0 31 32 1 0 0 0 20 33 1 0 0 0 33 34 2 0 0 0 33 35 1 0 0 0 37 36 1 0 0 0 38 36 1 0 0 0 39 37 1 0 0 0 40 38 1 0 0 0 41 39 1 0 0 0 41 40 1 0 0 0 36 10 1 1 0 0 40 42 1 1 0 0 39 43 1 1 0 0 41 44 1 1 0 0 37 45 1 6 0 0 42 46 1 0 0 0 16 47 1 6 0 0 49 48 1 0 0 0 50 48 1 0 0 0 51 49 1 0 0 0 52 50 1 0 0 0 53 51 1 0 0 0 53 52 1 0 0 0 52 54 1 6 0 0 51 55 1 6 0 0 53 56 1 6 0 0 49 57 1 1 0 0 59 58 1 0 0 0 60 58 1 0 0 0 61 59 1 0 0 0 62 60 1 0 0 0 63 61 1 0 0 0 63 62 1 0 0 0 62 64 1 1 0 0 61 65 1 1 0 0 63 66 1 1 0 0 59 67 1 6 0 0 64 68 1 0 0 0 58 43 1 6 0 0 48 45 1 1 0 0 M END > CHEBI:141199 > alpha-D-Gal-(1->3)-(alpha-L-Fuc-(1->2))-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0) > 2 > isogloboside (Fuc)iGb3Cer (t18:0); alpha-D-galactosyl-(1->3)-(alpha-L-fucosyl-(1->2))-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-(4R)-hydroxysphinganine; alpha-D-galactosyl-(1->3)-(alpha-L-fucosyl-(1->2))-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) > C43H78NO23R > 977.074 > 976.49646 > 0 > [C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)C)O)O)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)* > 7437454 $$$$