Accord 08271317182D 78 80 0 0 0 0 0 0 0 0999 V2000 18.6719 7.2506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9428 7.6704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2135 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0932 6.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2504 6.5215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.4012 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4867 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4867 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7576 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3397 8.3578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5364 8.3739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0232 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2883 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5534 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8185 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0836 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3488 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6139 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8790 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1441 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4093 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6744 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9395 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2046 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4698 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7349 6.0906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4783 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7434 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0085 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2737 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5388 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8039 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0690 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3342 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5993 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8644 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1295 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3947 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6599 7.6703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9250 7.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4060 9.9199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7392 9.6634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8022 9.9314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8594 9.6844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3720 10.5284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3091 10.2606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8733 10.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9171 9.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1494 9.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8482 10.2260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2520 10.5076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3816 10.8536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1814 9.9695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2443 10.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3015 9.9905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8142 10.8345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7512 10.5667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3155 10.8184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3592 9.8148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5916 10.1807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8032 11.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6941 10.8137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8238 11.1597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6171 9.3088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6800 9.5768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7372 9.3297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2499 10.1738 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1869 9.9060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7512 10.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7949 9.1541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0273 9.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 9.8714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1298 10.1529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2594 10.4989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6630 8.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9886 8.7152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2385 8.9485 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 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 M END > LMISSP0504AA02 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C56H104N2O18 > 1092.73 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260613 > - > - > Active (generated by computational methods) > - $$$$