Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 23.6912 7.2764 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9528 7.7015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2142 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1181 6.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2644 6.5380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4300 7.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4908 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4908 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7524 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3548 8.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5412 8.4141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0085 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2642 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5200 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7756 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0314 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2870 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5427 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7984 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0541 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3099 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5655 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8213 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3327 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5883 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8441 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0998 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3554 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8668 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1226 6.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3782 6.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4696 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7253 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9809 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2367 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4924 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7481 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0038 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2595 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5152 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7709 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0266 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2823 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5380 7.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7937 7.2764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4357 9.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7598 9.7227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8098 9.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8541 9.7439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3600 10.5995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3100 10.3281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8682 10.5832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9263 9.5659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1344 9.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8290 10.2930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2658 10.5784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3835 10.9292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1530 10.0330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2031 10.3046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2474 10.0542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7533 10.9098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7032 10.6384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2615 10.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3196 9.8762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5277 10.2471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7422 11.4664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6591 10.8887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7768 11.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 12.1943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2723 12.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3166 12.2155 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8225 13.0711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7724 12.7997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3307 13.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3888 12.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5969 12.4084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8114 13.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7283 13.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8460 13.4008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6090 11.5245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6591 11.7961 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7033 11.5457 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2093 12.4013 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1592 12.1299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7174 12.3850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7755 11.3677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9836 11.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1981 12.8227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1150 12.3802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 12.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6418 11.1592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9719 10.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 11.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9957 10.8547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0458 11.1263 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0900 10.8759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5960 11.7316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5459 11.4601 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1042 11.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1623 10.6979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3703 11.0688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5849 12.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 11.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6194 12.0612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5568 13.3549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8774 14.0722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9273 14.3432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9376 15.3312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6170 14.6140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3666 15.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7596 13.6442 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4060 14.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3244 15.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5672 14.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9863 15.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5383 13.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7020 13.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1679 13.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4171 14.0286 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8462 14.7716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5872 14.2461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7624 14.0102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1912 14.7533 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6400 14.6056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9957 15.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1532 13.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.4434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0213 14.5360 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 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 92107 1 0 0 0 0 122121 1 1 0 0 0 121123 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 122130 1 0 0 0 0 114121 1 0 0 0 0 M END > LMISSP0502BJ05 > > Galbeta1-3(Fucalpha2-3GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260448 > - > - > Active (generated by computational methods) > - $$$$