Ketcher 09181910542D 1 1.00000 0.00000 0 142151 0 1 0 999 V2000 18.0614 -1.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9273 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7933 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6594 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5254 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3915 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2574 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1234 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7933 -0.5182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7933 0.4818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9273 0.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6594 0.9819 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 20.6594 -3.0180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9895 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8555 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8555 -3.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9895 -3.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9893 -4.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1234 -5.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1234 -6.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2573 -6.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2573 -7.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3913 -8.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3912 -9.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 -9.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 -10.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -8.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -10.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -9.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -10.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -8.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -11.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -10.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -9.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1329 -6.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1329 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 -6.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 -8.5183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1329 -9.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4008 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 -7.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 -9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7311 -10.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -10.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7311 -4.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7311 -5.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 -3.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8650 -5.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -4.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9990 -5.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5972 -3.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5972 -5.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 -5.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 -3.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2670 -4.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1953 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1953 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3293 -1.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3293 -3.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4632 -2.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4632 -3.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0614 -3.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3293 -4.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5972 -1.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7311 -2.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -14.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -15.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -13.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -15.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -14.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -15.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -13.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -15.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4724 -16.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -15.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -13.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -14.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -12.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -13.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -11.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -13.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -12.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0707 -13.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -13.5183 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9366 -14.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -11.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -12.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -14.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5349 -15.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8028 -15.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -6.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 -7.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7405 -5.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -6.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -5.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -5.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -7.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -8.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 -7.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -5.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -4.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9916 -3.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 -8.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -9.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 -7.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -7.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -7.5184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -10.0182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6065 -9.0183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3386 -6.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -5.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4726 -10.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4727 -11.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6066 -10.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -8.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9915 -9.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8577 -8.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 -10.0181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -8.5183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7236 -9.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 -10.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8575 -11.0181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 -10.0182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5895 -8.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7045 -16.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7045 -16.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2045 -17.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 -17.2502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7046 -18.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7046 -18.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 -15.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2045 -17.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2046 -18.9822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2046 -18.9822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5254 -0.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 3 9 1 6 0 0 9 10 1 0 0 0 10 11 2 0 0 0 10 12 1 0 0 0 4 13 1 1 0 0 8 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 30 1 0 0 0 25 31 1 1 0 0 26 32 1 6 0 0 28 33 1 1 0 0 30 34 1 1 0 0 29 35 1 1 0 0 36 35 1 0 0 0 37 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 42 1 0 0 0 37 43 1 1 0 0 38 44 1 6 0 0 40 45 1 1 0 0 42 31 1 6 0 0 41 46 1 1 0 0 47 46 1 0 0 0 49 48 1 0 0 0 50 48 2 0 0 0 44 48 1 0 0 0 51 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 56 1 0 0 0 51 57 1 1 0 0 52 58 1 6 0 0 54 43 1 1 0 0 56 59 1 1 0 0 55 60 1 1 0 0 61 60 1 0 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 63 68 1 6 0 0 65 69 1 1 0 0 67 57 1 6 0 0 66 70 1 1 0 0 71 70 1 0 0 0 72 73 1 0 0 0 72 74 1 0 0 0 73 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 77 1 0 0 0 72 78 1 1 0 0 73 79 1 6 0 0 75 80 1 1 0 0 77 81 1 1 0 0 76 82 1 1 0 0 83 82 1 0 0 0 84 85 1 0 0 0 84 86 1 0 0 0 85 87 1 0 0 0 86 88 1 0 0 0 87 89 1 0 0 0 88 89 1 0 0 0 85 90 1 6 0 0 87 91 1 1 0 0 89 78 1 6 0 0 88 92 1 1 0 0 93 92 1 0 0 0 95 94 1 0 0 0 96 94 2 0 0 0 90 94 1 0 0 0 84 33 1 1 0 0 97 98 1 0 0 0 97 99 1 0 0 0 98100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 101102 1 0 0 0 97103 1 1 0 0 98104 1 6 0 0 100105 1 1 0 0 102106 1 1 0 0 101107 1 1 0 0 108107 1 0 0 0 109110 1 0 0 0 109111 1 0 0 0 110112 1 0 0 0 111113 1 0 0 0 112114 1 0 0 0 113114 1 0 0 0 110115 1 6 0 0 112116 1 1 0 0 114103 1 6 0 0 113117 1 1 0 0 118117 1 0 0 0 120119 1 0 0 0 121119 2 0 0 0 115119 1 0 0 0 109 36 1 1 0 0 62 1 1 1 0 0 122123 1 0 0 0 122124 1 0 0 0 123125 1 0 0 0 124126 1 0 0 0 125127 1 0 0 0 126127 1 0 0 0 123128 1 1 0 0 125129 1 6 0 0 127130 1 6 0 0 126131 1 6 0 0 122104 1 1 0 0 132133 1 0 0 0 132134 1 0 0 0 133135 1 0 0 0 134136 1 0 0 0 135137 1 0 0 0 136137 1 0 0 0 133138 1 1 0 0 135139 1 6 0 0 137140 1 6 0 0 136141 1 6 0 0 132 79 1 1 0 0 5142 1 6 0 0 M END > CHEBI:144876 > alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(t18:0) > 2 > IV(6),IV(3)-beta-[Fuc-alpha-(1->2)-Gal-beta-(1->4)-GlcNAc]2-nLc4Cer(t18:0); alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acylphytosphingosine; alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->3)-[alpha-L-fucosyl-(1->2)-beta-D-galactosyl-(1->4)-N-acetyl-beta-glucosaminyl-(1->6)]-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-4R-hydroxysphinganine; alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-[alpha-L-Fuc-(1->2)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->6)]-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(t18:0); a neolactoside VI(2)-alpha-Fuc,IV(6)-beta-[Fuc-alpha-(1->2)-Gal-beta-(1->4)-GlcNAc]-nLc6Cer(t18:0) > C85H147N4O52R > 2057.076 > 2055.89814 > 0 > O(C[C@@H]([C@@H]([C@@H](CCCCCCCCCCCCCC)O)O)NC(=O)*)[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[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O[C@H]7[C@H]([C@@H]([C@@H]([C@@H](O7)C)O)O)O)O)NC(C)=O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O[C@H]9[C@@H]([C@H]([C@H]([C@H](O9)CO)O)O)O[C@H]%10[C@H]([C@@H]([C@@H]([C@@H](O%10)C)O)O)O)O)NC(C)=O)O)O)NC(C)=O)O)O)O $$$$