Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 24.1375 7.3003 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3904 7.7304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6431 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5694 6.5532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7056 6.5532 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8850 7.7317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9229 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9229 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1758 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7972 8.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9740 8.4515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4232 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6701 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9171 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1640 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4109 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6578 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9047 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1517 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3986 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8924 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1394 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3863 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6333 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8801 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1271 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3740 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6209 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1147 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3617 6.1116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6086 6.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8897 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1366 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3835 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6305 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8774 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1243 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3712 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6182 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8651 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1121 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3589 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6058 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8528 7.7303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0997 7.3003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8908 10.0385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2069 9.7755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2457 10.0503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2787 9.7970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7788 10.6627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7400 10.3881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2930 10.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3636 9.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5505 9.9921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2415 10.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7071 10.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8144 10.9962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5576 10.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5965 10.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6295 10.1109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1296 10.9766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0907 10.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6438 10.9601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7143 9.9308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9013 10.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1183 11.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0579 10.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1651 11.3102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5923 12.2762 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6311 12.5510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6641 12.2977 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1642 13.1634 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1254 12.8888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6784 13.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7490 12.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9359 12.4929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1530 13.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0925 13.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1998 13.4969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9364 11.5985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9753 11.8734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0082 11.6200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5084 12.4857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4695 12.2111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0225 12.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0931 11.4399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2801 11.8152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4971 12.9120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4366 12.4644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5439 12.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9578 11.2289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2917 10.9897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5224 11.2289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 13.4505 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8989 13.7253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9318 13.4720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4320 14.3377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3931 14.0631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9461 14.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0167 13.2919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2036 13.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8946 14.0275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3602 14.3163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4675 14.6712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8814 13.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2153 12.8416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4460 13.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2107 13.7645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2496 14.0393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2826 13.7859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7827 14.6516 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7438 14.3770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2969 14.6351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3675 13.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7715 15.2148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7110 14.6303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8182 14.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMISSP0502BG05 > > Galbeta1-4GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C82H149N3O33 > 1704.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260424 > - > - > Active (generated by computational methods) > - $$$$