Marvin 06301114022D 92 97 0 0 1 0 999 V2000 9.9622 -2.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6496 -1.7782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6496 -1.0082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3647 -2.1907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3647 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9622 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0522 -1.7782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3371 -2.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0522 -1.0082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7671 -2.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2472 -0.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6248 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3394 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9104 -1.0082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0538 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1960 -0.5957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7682 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4815 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4826 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1972 -1.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1973 -1.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4828 -2.2457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4829 -3.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7685 -3.4832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7685 -4.3083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0541 -4.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0542 -5.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3397 -5.9583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3398 -6.7832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9104 -1.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1958 0.2293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6247 0.2296 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 14.9102 0.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9101 1.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2477 -2.6032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2477 -3.4282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5332 -2.1907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5332 -3.8407 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8188 -2.6032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8188 -3.4282 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9622 -3.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5332 -4.6656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -3.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1042 -2.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3898 -2.6032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3897 -4.2532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3897 -5.0782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6751 -3.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -5.4907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9607 -4.2532 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9607 -5.0782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1042 -5.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6751 -6.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -3.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5318 -4.2532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 -6.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9607 -7.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2461 -6.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -7.9658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5317 -6.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5317 -7.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6750 -7.9658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2461 -8.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -7.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -6.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1027 -6.7283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5317 -9.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5317 -10.0283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8172 -8.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -10.4408 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1027 -9.2033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1027 -10.0283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3356 -11.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8172 -11.2658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -10.4408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3882 -8.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -9.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6750 -8.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1014 -9.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9606 -9.2033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -11.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1079 -12.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5369 -12.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5369 -13.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8224 -13.5185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1079 -13.1060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2512 -13.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8224 -14.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 -13.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3934 -11.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2462 -5.4907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 1 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 5 9 1 0 0 0 0 7 10 1 6 0 0 0 9 11 1 1 0 0 0 7 9 1 0 0 0 0 6 12 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 31 1 1 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 17 32 1 6 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 11 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 32 34 1 0 0 0 0 34 33 1 0 0 0 0 34 35 2 0 0 0 0 36 37 1 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 40 41 1 0 0 0 0 36 1 1 1 0 0 0 37 42 1 6 0 0 0 39 43 1 1 0 0 0 41 44 1 1 0 0 0 40 45 1 1 0 0 0 46 45 1 0 0 0 0 47 48 1 0 0 0 0 47 49 1 0 0 0 0 48 50 1 0 0 0 0 49 51 1 0 0 0 0 50 52 1 0 0 0 0 51 52 1 0 0 0 0 47 44 1 6 0 0 0 48 53 1 6 0 0 0 50 54 1 1 0 0 0 51 55 1 1 0 0 0 56 55 1 0 0 0 0 57 58 1 0 0 0 0 57 59 1 0 0 0 0 58 60 1 0 0 0 0 59 61 1 0 0 0 0 60 62 1 0 0 0 0 61 62 1 0 0 0 0 58 63 1 6 0 0 0 60 64 1 1 0 0 0 62 65 1 6 0 0 0 61 66 1 1 0 0 0 67 66 1 0 0 0 0 68 69 1 0 0 0 0 68 70 1 0 0 0 0 69 71 1 0 0 0 0 70 72 1 0 0 0 0 71 73 1 0 0 0 0 72 73 1 0 0 0 0 68 64 1 1 0 0 0 69 74 1 6 0 0 0 71 75 1 1 0 0 0 73 76 1 1 0 0 0 72 77 1 1 0 0 0 78 77 1 0 0 0 0 63 79 1 0 0 0 0 79 80 1 0 0 0 0 79 81 2 0 0 0 0 83 82 1 0 0 0 0 84 82 1 0 0 0 0 84 74 1 1 0 0 0 84 85 1 0 0 0 0 85 88 1 1 0 0 0 85 86 1 0 0 0 0 86 89 1 6 0 0 0 86 87 1 0 0 0 0 87 83 1 0 0 0 0 87 90 1 6 0 0 0 83 91 1 6 0 0 0 57 54 1 1 0 0 0 52 92 1 1 0 0 0 M END > CHEBI:62361 > alpha-L-Fuc-(1->2)-beta-D-Gal-(1->3)-beta-D-GlcNAc-(1->3)-alpha-D-Gal-(1->4)-beta-D-Gal-(1->4)-beta-D-Glc-(1->1')-Cer > A glycohexaosylceramide having α-L-Fuc-(1→2)-β-D-Gal-(1→3)-β-D-GlcNAc-(1→3)-α-D-Gal-(1→4)-β-D-Gal-(1→4)-β-D-Glc as the glycohexaosyl component. > 3 > N-[(2S,3R,4E)-1-{[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide; Globo H; Fucalpha1-2Galbeta1-3GlcNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta1-1'Cer; alpha-L-Fucp-(1->2)-beta-D-Galp-(1->3)-beta-D-GlcpNAc-(1->3)-alpha-D-Galp-(1->4)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->1')-Cer; alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->3)-N-acetyl-beta-D-glucosaminyl-(1->3)-alpha-D-galactosyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1->1')-ceramide > N-[(2S,3R,4E)-1-{[alpha-L-fucopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]alkanamide > C57H99N2O32R > 1324.39020 > 1323.61809 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([*])=O > 1528196; 21149694 $$$$