Accord 08271317182D 122128 0 0 0 0 0 0 0 0999 V2000 24.3404 7.0168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6853 7.3940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0300 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7190 6.3618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9617 6.3618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9957 7.3952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2755 5.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6205 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0419 8.0117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3202 8.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9606 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3003 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6400 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9797 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3195 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6592 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9989 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3386 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6784 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0181 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3578 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6975 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0372 5.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3770 6.3531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3695 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7092 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0489 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3887 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7284 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0681 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4078 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7476 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0873 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4270 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7667 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1065 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4463 7.3940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7860 7.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.4152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4009 9.1847 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5590 9.4255 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7119 9.2035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2740 9.9619 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1159 9.7213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7244 9.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6622 9.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0740 9.3745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8033 9.6902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9631 9.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1811 10.2540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2042 9.4598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3623 9.7005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5152 9.4786 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0773 10.2369 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9193 9.9963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5277 10.2224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4655 9.3208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8773 9.6495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0675 10.7302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7665 10.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9844 10.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0018 8.8661 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1598 9.1069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3127 8.8849 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8748 9.6433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7168 9.4027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3253 9.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2631 8.7271 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6748 9.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4042 9.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5640 9.6246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7819 9.9354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1445 8.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4371 8.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7631 8.5423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7993 8.2725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9573 8.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1102 8.2913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6724 9.0496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5143 8.8091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1228 9.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0606 8.1335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4724 8.4622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6625 9.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3615 9.0309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5795 9.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5968 7.6788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7549 7.9196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9078 7.6976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4699 8.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3118 8.2154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9203 8.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8581 7.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 7.8686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9992 8.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1590 8.4373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3770 8.7481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 7.3551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0321 7.1455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3582 7.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4001 7.9539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5582 8.1946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7111 7.9727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2732 8.7310 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1151 8.4905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7236 8.7165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6614 7.8149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0732 8.1436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 9.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9623 8.7123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1803 9.0232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2006 7.8149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8203 7.1564 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0847 7.3491 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1693 7.1400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7338 7.7987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2452 7.6677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3742 7.3048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 6.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1693 6.6376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 7.6060 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 3 26 2 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 33 34 1 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 70 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 108113 1 0 0 0 0 M END > LMISSP0504AV01 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260780 > - > - > Active (generated by computational methods) > - $$$$