CDK 0605202312 128137 0 0 0 0 0 0 0 0999 V2000 9.3817 -0.2774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4533 2.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7085 0.8359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7693 0.1413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7801 3.1341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6521 -1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1677 3.9001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 -2.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4229 2.3680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6559 1.4682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6781 1.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4620 4.2009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6682 5.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 -2.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -4.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 5.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -4.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4490 5.1871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3578 -0.4602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0105 1.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -1.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6824 -1.9832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1888 -5.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9829 7.1553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 -5.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 -5.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0766 4.5947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1035 6.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5907 -4.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1010 -4.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0823 3.1762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -7.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -5.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -8.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1026 7.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5826 3.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8291 -3.4831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3882 5.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6629 1.3569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9654 -1.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 -7.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4568 -6.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -8.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6890 4.1759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5753 7.5277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1010 -7.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6010 -3.3282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6529 -6.8908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4599 8.1798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9637 -0.3489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8898 -1.1442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4414 6.0277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.1010 -2.4622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7869 -5.3908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1330 7.0665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0961 1.2547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7541 0.3150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0809 1.4283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3969 -0.4511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7237 0.6623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3513 0.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7953 2.9604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3361 0.2435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1525 3.7264 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9789 -0.5225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0093 -0.8698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4946 4.6661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6369 -1.4622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8296 0.4833 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0548 -1.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 4.8398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1222 4.0738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0635 -0.1594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1238 0.1826 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5029 -2.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9502 1.1674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7162 1.8102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4017 4.5429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3689 -2.4622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1888 -2.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5029 -3.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5753 5.5277 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1888 -3.8908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0245 -1.0435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1070 4.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2349 -2.9622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8093 6.1705 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3228 -4.3908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8696 5.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4568 -3.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6960 4.8436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4568 -2.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2349 -3.9622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6369 -4.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2162 2.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -5.3908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9209 -5.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4338 5.3607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7758 6.3004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9209 -6.8908 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3057 0.5908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0548 -7.3908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7606 6.4741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7563 4.5016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1888 -6.8908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4720 -2.7171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4034 5.7080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0614 4.7683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9502 -1.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5029 -5.9622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5029 -6.9622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4414 7.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2905 0.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3228 -7.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3689 -7.4622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1010 -2.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7042 4.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2349 -6.9622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2349 -5.9622 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7766 -2.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6529 -5.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3074 7.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4750 8.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6010 -1.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1010 -5.4622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5189 -5.3908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8323 8.7722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 60 1 0 0 0 0 1 61 1 0 0 0 0 57 2 1 6 0 0 0 63 2 1 6 0 0 0 61 3 1 6 0 0 0 62 3 1 1 0 0 0 58 4 1 1 0 0 0 70 4 1 1 0 0 0 5 63 1 0 0 0 0 5 73 1 0 0 0 0 6 67 1 0 0 0 0 6 69 1 0 0 0 0 65 7 1 1 0 0 0 79 7 1 6 0 0 0 69 8 1 6 0 0 0 76 8 1 1 0 0 0 59 9 1 6 0 0 0 10 70 1 0 0 0 0 10 78 1 0 0 0 0 11 71 1 0 0 0 0 81 11 1 6 0 0 0 64 12 1 6 0 0 0 13 79 1 0 0 0 0 13 92 1 0 0 0 0 68 14 1 1 0 0 0 15 81 1 0 0 0 0 15 93 1 0 0 0 0 16 82 1 0 0 0 0 16 94 1 0 0 0 0 72 17 1 6 0 0 0 84 18 1 1 0 0 0 97 18 1 1 0 0 0 19 86 1 0 0 0 0 99 19 1 1 0 0 0 75 20 1 1 0 0 0 77 21 1 6 0 0 0 80 22 1 6 0 0 0 23 85 1 0 0 0 0 24 97 1 0 0 0 0 24106 1 0 0 0 0 88 25 1 6 0 0 0 89 26 1 1 0 0 0 27 95 1 0 0 0 0 111 27 1 6 0 0 0 28 99 1 0 0 0 0 28109 1 0 0 0 0 90 29 1 1 0 0 0 91 30 1 6 0 0 0 31 94 1 0 0 0 0 32 96 1 0 0 0 0 101 33 1 1 0 0 0 34111 1 0 0 0 0 34120 1 0 0 0 0 103 35 1 6 0 0 0 104 36 1 1 0 0 0 37105 1 0 0 0 0 38107 1 0 0 0 0 108 39 1 6 0 0 0 40102 2 0 0 0 0 41110 2 0 0 0 0 112 42 1 6 0 0 0 43115 1 0 0 0 0 116 44 1 1 0 0 0 45118 1 0 0 0 0 46113 2 0 0 0 0 119 47 1 1 0 0 0 48117 2 0 0 0 0 49122 2 0 0 0 0 50124 2 0 0 0 0 66 51 1 1 0 0 0 51102 1 0 0 0 0 74 52 1 6 0 0 0 52110 1 0 0 0 0 83 53 1 1 0 0 0 53113 1 0 0 0 0 87 54 1 1 0 0 0 54117 1 0 0 0 0 98 55 1 6 0 0 0 55122 1 0 0 0 0 100 56 1 6 0 0 0 56124 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 71 1 6 0 0 0 62 64 1 0 0 0 0 62 67 1 0 0 0 0 63 65 1 0 0 0 0 64 66 1 0 0 0 0 65 68 1 0 0 0 0 66 69 1 0 0 0 0 67 85 1 6 0 0 0 68 72 1 0 0 0 0 70 74 1 0 0 0 0 72 73 1 0 0 0 0 73 86 1 1 0 0 0 74 75 1 0 0 0 0 75 77 1 0 0 0 0 76 80 1 0 0 0 0 76 82 1 0 0 0 0 77 78 1 0 0 0 0 78 96 1 1 0 0 0 79 83 1 0 0 0 0 80 87 1 0 0 0 0 81 84 1 0 0 0 0 82 95 1 6 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 87 94 1 0 0 0 0 88 90 1 0 0 0 0 89 91 1 0 0 0 0 90 92 1 0 0 0 0 91 93 1 0 0 0 0 92105 1 6 0 0 0 93107 1 1 0 0 0 97 98 1 0 0 0 0 98101 1 0 0 0 0 99100 1 0 0 0 0 100104 1 0 0 0 0 101103 1 0 0 0 0 102114 1 0 0 0 0 103106 1 0 0 0 0 104108 1 0 0 0 0 106115 1 1 0 0 0 108109 1 0 0 0 0 109118 1 1 0 0 0 110121 1 0 0 0 0 111112 1 0 0 0 0 112116 1 0 0 0 0 113123 1 0 0 0 0 116119 1 0 0 0 0 117125 1 0 0 0 0 119120 1 0 0 0 0 120126 1 1 0 0 0 122127 1 0 0 0 0 124128 1 0 0 0 0 M END > CHEBI:154969 > N-[(3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3S,4R,5R,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2R,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3-hydroxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-[[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl]acetamide > 2 > WURCS=2.0/5,10,9/[a2122h-1x_1-5_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a1221m-1a_1-5]/1-2-3-4-2-2-2-4-2-5/a4-b1_a6-j1_b4-c1_c3-d1_c4-g1_c6-h1_d2-e1_d6-f1_h2-i1; GlcNAc(b1-2)[GlcNAc(b1-6)]Man(a1-3)[GlcNAc(b1-2)Man(a1-6)][GlcNAc(b1-4)]Man(b1-4)GlcNAc(b1-4)[Fuc(a1-6)]GlcNAc; 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-alpha-D-manno-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)][2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-gluco-hexopyranose > C72H120N6O50 > 1869.744 > 1868.70318 > 0 > O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@H]3O[C@@H]([C@@H](O)[C@H](O)[C@@H]3O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)CO[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)C)CO)[C@H](O)[C@@H]1O[C@H]6[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]6CO)O[C@H]7[C@H](O)[C@@H](NC(=O)C)C(O[C@@H]7CO[C@@H]8O[C@H]([C@@H](O)[C@@H](O)[C@@H]8O)C)O)CO[C@H]9O[C@@H]([C@@H](O)[C@H](O)[C@@H]9O[C@@H]%10O[C@@H]([C@@H](O)[C@H](O)[C@H]%10NC(=O)C)CO)CO > InChI=1S/C72H120N6O50/c1-17-39(91)52(104)55(107)69(113-17)111-15-31-58(50(102)33(63(109)114-31)73-18(2)85)123-68-38(78-23(7)90)51(103)57(29(13-84)120-68)124-70-56(108)60(126-72-62(128-67-37(77-22(6)89)49(101)43(95)27(11-82)118-67)54(106)45(97)30(121-72)14-110-64-34(74-19(3)86)46(98)40(92)24(8-79)115-64)59(125-65-35(75-20(4)87)47(99)41(93)25(9-80)116-65)32(122-70)16-112-71-61(53(105)44(96)28(12-83)119-71)127-66-36(76-21(5)88)48(100)42(94)26(10-81)117-66/h17,24-72,79-84,91-109H,8-16H2,1-7H3,(H,73,85)(H,74,86)(H,75,87)(H,76,88)(H,77,89)(H,78,90)/t17-,24+,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,56-,57+,58+,59+,60+,61-,62-,63?,64+,65-,66-,67-,68-,69+,70-,71-,72+/m0/s1 > FHUHTZCAHWTVKF-KRZYAZIYSA-N $$$$