Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 22.0214 7.2962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2758 7.7257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5298 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4524 6.5506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5903 6.5506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7674 7.7269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8092 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8092 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0636 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6817 8.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8601 8.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3123 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5607 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8091 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0575 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3058 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5542 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8026 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0509 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2993 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5477 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7961 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0444 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2928 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5412 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7895 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 6.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7779 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0262 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2746 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5230 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7713 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0197 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2681 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5165 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7648 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0132 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2616 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5099 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7584 7.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0068 7.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7723 10.0264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0904 9.7641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1319 10.0381 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1676 9.7855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6692 10.6488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6276 10.3749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1819 10.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2494 9.6059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4415 9.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1334 10.3395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5920 10.6275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7018 10.9813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4514 10.0772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4930 10.3512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5287 10.0986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0302 10.9618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9886 10.6880 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5429 10.9454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6105 9.9190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8025 10.2932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0190 11.5234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9530 10.9405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0628 11.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4944 12.2578 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5360 12.5318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5717 12.2792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0732 13.1424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0316 12.8686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5859 13.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6535 12.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8455 12.4738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0620 13.7040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9960 13.1211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1058 13.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8488 11.5820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8904 11.8560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9261 11.6034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4276 12.4667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3861 12.1928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9404 12.4502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0079 11.4238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2000 11.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4164 12.8918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3505 12.4454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4602 12.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8730 11.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2060 10.9748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4388 11.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2033 10.9062 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2448 11.1803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2805 10.9276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7821 11.7909 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7405 11.5171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2948 11.7744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3623 10.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7708 12.2160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7049 11.7696 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8147 12.1235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2274 10.5377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5604 10.2991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 10.5377 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 3 28 2 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 83 90 1 0 0 0 0 M END > LMISSP0502AD02 > > GalNAcbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C70H127N3O28 > 1457.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260189 > - > - > Active (generated by computational methods) > - $$$$