Accord 08271317192D 114119 0 0 0 0 0 0 0 0999 V2000 18.8041 7.7888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0624 8.2157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3206 7.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2328 7.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3753 7.0471 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5460 8.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5984 6.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5984 5.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8568 7.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4662 8.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6490 8.9315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1096 6.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3621 7.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6145 6.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8669 7.0372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1195 6.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5727 8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8252 7.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0776 8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3300 7.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5824 8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8350 7.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0874 8.2156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3398 7.7888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1195 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3398 7.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 6.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7016 7.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8824 6.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0633 7.0547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2443 6.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3075 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4956 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6836 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8717 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0597 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2478 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4358 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6239 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8119 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5511 10.5046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8728 10.2437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9196 10.5162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9605 10.2650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4647 11.1236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4180 10.8512 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9747 11.1072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0365 10.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2383 10.4585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9318 10.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3772 11.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4918 11.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2535 10.5551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3003 10.8276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3412 10.5763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8455 11.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7987 11.1626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3554 11.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4172 10.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6190 10.7699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8343 11.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7579 11.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8725 11.7657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7842 10.8743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0034 10.2633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6429 9.3397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6569 9.4432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4376 10.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9700 9.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4199 10.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0618 8.8692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1985 9.7625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7982 10.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9929 10.4686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0705 7.9822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1173 8.2548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1582 8.0035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6624 8.8621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6156 8.5897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1724 8.8457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2341 7.8248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4360 8.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6512 9.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5748 8.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6894 9.1929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0999 7.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4311 7.3783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6681 7.6156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1942 12.3918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5125 13.1116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5590 13.3836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5694 14.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2512 13.6553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9999 14.1013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3942 12.6821 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0359 13.9178 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9540 14.3815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2046 13.3833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6217 14.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1722 12.5704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3364 12.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8005 12.7901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2757 14.1206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5940 14.8404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6406 15.1123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6509 16.1038 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3327 15.3841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0814 15.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4758 14.4109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1175 15.6466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9255 16.5901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2862 15.1120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7033 15.8656 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 61 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 64 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 M END > LMISSP0506AK02 > > GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C76H137N3O33 > 1619.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261893 > - > - > Active (generated by computational methods) > - $$$$