Ketcher 09201917132D 1 1.00000 0.00000 0 133141 0 1 0 999 V2000 12.9279 -22.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7961 -19.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7961 -20.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9279 -19.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9279 -21.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 -19.6491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 -20.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -19.1479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -21.1526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1918 -21.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1918 -19.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 -19.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -20.6514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5324 -19.6491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2523 -21.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -16.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -17.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -16.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6642 -18.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7961 -16.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7961 -17.6443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4004 -16.1408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4004 -18.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 -18.1455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9281 -16.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0600 -16.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0048 -14.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0048 -15.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -14.1360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -16.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2685 -14.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2685 -15.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8728 -14.1359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8728 -16.1408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.1365 -17.1431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4004 -14.1360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5323 -14.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7409 -15.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7409 -14.6372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5993 -16.0758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7410 -11.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7410 -12.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8728 -11.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8728 -13.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0048 -11.6300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0048 -12.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6090 -11.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6090 -13.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1366 -13.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1366 -11.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2685 -11.6301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2133 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2133 -10.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3452 -9.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3452 -11.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4771 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4771 -10.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0815 -9.1240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.0815 -11.1288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3452 -12.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6090 -9.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7410 -9.6252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.9494 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8176 -9.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6857 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.5538 -9.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4219 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2899 -9.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1580 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.8176 -8.1217 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.8176 -7.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9494 -6.6181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.6856 -6.6181 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 27.6857 -10.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.0261 -9.1240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8943 -9.6252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.8943 -10.6276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0261 -11.1288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0260 -12.1312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1580 -12.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1580 -13.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2898 -14.1359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2898 -15.1383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4218 -15.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.4217 -16.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 -24.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 -21.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 -22.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4556 -21.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4556 -23.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -21.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5875 -22.6563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1918 -23.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -23.1575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7195 -21.1526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8514 -21.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 -27.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5874 -24.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5874 -25.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 -24.1599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 -26.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 -24.6611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8511 -25.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4555 -26.1646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -26.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -24.1599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -24.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3236 -25.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3237 -24.6611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0436 -26.1249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 -29.1719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -26.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 -27.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -26.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -28.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -26.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -27.6683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 -28.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -28.1695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5108 -26.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 -26.6659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 -28.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2228 -28.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7192 -28.9032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 -28.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2206 -29.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2229 -29.7712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7240 -27.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7264 -28.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7241 -30.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7194 -30.6393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2877 -17.1418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1537 -16.6418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 7 1 0 0 0 6 7 1 0 0 0 2 8 1 1 0 0 3 9 1 6 0 0 5 1 1 1 0 0 7 10 1 6 0 0 6 11 1 1 0 0 12 11 1 0 0 0 14 13 2 0 0 0 15 13 1 0 0 0 9 13 1 0 0 0 16 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 20 1 0 0 0 19 21 1 0 0 0 20 21 1 0 0 0 16 22 1 1 0 0 17 23 1 6 0 0 19 8 1 1 0 0 21 24 1 1 0 0 20 25 1 1 0 0 26 25 1 0 0 0 27 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 32 1 0 0 0 27 33 1 1 0 0 28 34 1 6 0 0 30 35 1 1 0 0 32 22 1 6 0 0 31 36 1 1 0 0 37 36 1 0 0 0 39 38 2 0 0 0 40 38 1 0 0 0 34 38 1 0 0 0 41 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 45 1 0 0 0 44 46 1 0 0 0 45 46 1 0 0 0 41 47 1 1 0 0 42 48 1 6 0 0 44 33 1 1 0 0 46 49 1 1 0 0 45 50 1 1 0 0 51 50 1 0 0 0 52 53 1 0 0 0 52 54 1 0 0 0 53 55 1 0 0 0 54 56 1 0 0 0 55 57 1 0 0 0 56 57 1 0 0 0 52 58 1 1 0 0 53 59 1 6 0 0 55 60 1 1 0 0 57 47 1 6 0 0 56 61 1 1 0 0 62 61 1 0 0 0 58 63 1 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 2 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 64 70 1 6 0 0 70 71 1 0 0 0 71 72 2 0 0 0 71 73 1 0 0 0 65 74 1 1 0 0 69 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 83 1 0 0 0 83 84 1 0 0 0 84 85 1 0 0 0 87 88 1 0 0 0 87 89 1 0 0 0 88 90 1 0 0 0 89 91 1 0 0 0 90 92 1 0 0 0 91 92 1 0 0 0 88 93 1 6 0 0 90 86 1 1 0 0 92 94 1 1 0 0 91 95 1 1 0 0 96 95 1 0 0 0 87 10 1 1 0 0 98 99 1 0 0 0 98100 1 0 0 0 99101 1 0 0 0 100102 1 0 0 0 101103 1 0 0 0 102103 1 0 0 0 99104 1 6 0 0 101 97 1 1 0 0 103105 1 6 0 0 102106 1 1 0 0 107106 1 0 0 0 109108 2 0 0 0 110108 1 0 0 0 104108 1 0 0 0 112113 1 0 0 0 112114 1 0 0 0 113115 1 0 0 0 114116 1 0 0 0 115117 1 0 0 0 116117 1 0 0 0 113118 1 6 0 0 115111 1 1 0 0 117119 1 1 0 0 116120 1 1 0 0 121120 1 0 0 0 112105 1 1 0 0 98 86 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 0 122 97 1 1 0 0 85132 1 0 0 0 132133 1 0 0 0 M END > CHEBI:144902 > beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide(d20:1(4E)) > 2 > Lex nonnasaccharide glycolipid(d20:1(4E)); beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-icosasphingosine; beta-D-galactosyl-(1->4)-[alpha-L-fucosyl-(1->3)]-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-acyl-eicosasphing-4-enine; beta-D-Gal-(1->4)-[alpha-L-fucosyl-(1->3)]-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d20:1(4E)); a neolactoside VII(3)-alpha-Fuc-nLc8Cer(d20:1(4E)) > C81H139N4O47R > 1920.972 > 1919.86096 > 0 > O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O[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)O)O)O)O[C@H]5[C@H]([C@@H]([C@@H]([C@@H](O5)C)O)O)O)NC(=O)C)O)CO)O[C@@H]6[C@H]([C@@H](O[C@@H]([C@@H]6O)CO)O[C@H]7[C@@H]([C@H]([C@@H](O[C@@H]7CO)O[C@@H]8[C@H]([C@@H](O[C@@H]([C@@H]8O)CO)O[C@H]9[C@@H]([C@H]([C@@H](O[C@@H]9CO)OC[C@@H]([C@@H](/C=C/CCCCCCCCCCCCCCC)O)NC(=O)*)O)O)O)NC(=O)C)O)O)NC(=O)C $$$$