Ketcher 06151812152D 1 1.00000 0.00000 0 83 87 0 1 0 999 V2000 14.4603 -5.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4603 -6.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5931 -5.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5931 -7.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 -5.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7258 -6.7403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -5.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8586 -5.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5931 -8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8586 -7.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3273 -7.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8557 -4.2369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1989 -5.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0625 -5.2260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9334 -5.7203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7968 -5.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9405 -6.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6678 -5.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5311 -5.2005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0676 -4.2250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.3989 -5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1332 -5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1332 -6.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2660 -7.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3989 -6.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8677 -5.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8677 -6.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0004 -5.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0004 -7.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5316 -7.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6644 -6.7101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0736 -3.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2094 -2.7197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9684 -2.7390 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 10.9915 -7.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9915 -8.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 -7.2410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 -9.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2571 -7.7418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2571 -8.7431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3899 -7.2410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1241 -10.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3899 -9.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8586 -9.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3869 -6.2398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 -9.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5226 -10.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -9.2439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -11.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -9.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 -10.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -9.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -12.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -11.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3899 -11.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9180 -8.2424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 -12.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7883 -13.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -12.2477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -14.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0536 -12.7483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0536 -13.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 -12.2477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -15.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1865 -14.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6554 -14.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 -11.2462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -15.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 -16.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -15.2517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -17.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -15.7523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3192 -16.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -15.2517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -18.2557 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4520 -17.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9209 -17.2543 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 -15.6590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8685 -18.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 -18.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1504 -18.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7893 -4.2119 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 48 47 1 0 0 0 49 47 1 0 0 0 50 48 1 0 0 0 51 49 1 0 0 0 52 50 1 0 0 0 52 51 1 0 0 0 47 44 1 6 0 0 51 53 1 1 0 0 50 54 1 1 0 0 52 55 1 1 0 0 48 56 1 6 0 0 53 57 1 0 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 54 1 6 0 0 70 69 1 0 0 0 71 69 1 0 0 0 72 70 1 0 0 0 73 71 1 0 0 0 74 72 1 0 0 0 74 73 1 0 0 0 73 75 1 1 0 0 72 76 1 1 0 0 74 77 1 1 0 0 70 78 1 6 0 0 75 79 1 0 0 0 78 80 1 0 0 0 80 81 1 0 0 0 80 82 2 0 0 0 69 65 1 1 0 0 16 83 1 6 0 0 M END > CHEBI:141038 > beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-ceramide(t18:0) > 2 > N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-(4R)-hydroxysphinganine; N-acetyl-beta-D-galactosaminyl-(1->3)-alpha-D-galactosyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0); globoside GalNAcGalGb3Cer (t18:0); beta-D-GalNAc-(1->3)-alpha-D-Gal-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0) > C51H91N2O29R > 1196.266 > 1195.57075 > 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[C@@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(C)=O)O)O)O)O)O)O)OC[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)* $$$$