Accord 08271317192D 107111 0 0 0 0 0 0 0 0999 V2000 22.4115 7.7592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6785 8.1811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9454 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8353 7.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9877 7.0261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.1448 8.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2199 6.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2199 5.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4869 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0776 8.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2699 8.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7485 6.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0097 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2708 6.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5320 7.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7932 6.5929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2062 8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4674 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7285 8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9897 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2507 8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5121 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7731 8.1810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0343 7.7592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7932 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0343 7.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2247 6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4152 7.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6056 6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7960 7.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9865 6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9908 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1883 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3858 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5833 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7808 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9784 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1759 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3734 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5709 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7684 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1635 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3610 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5585 5.7108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1498 10.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4795 10.1854 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5374 10.4548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5895 10.2065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0995 11.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0416 10.7859 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6035 11.0388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6529 10.0299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8757 10.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5728 10.7510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9896 11.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1145 11.3820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9024 10.4932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9603 10.7625 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0124 10.5142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5224 11.3628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4645 11.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0264 11.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0758 10.3376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2986 10.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5114 11.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4125 11.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5374 11.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3188 9.8289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3767 10.0983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4288 9.8499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9388 10.6985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8810 10.4293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4428 10.6823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4922 9.6734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7150 10.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4121 10.3945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8290 10.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9539 11.0254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3596 9.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6869 9.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9328 9.4666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7418 10.1366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7996 10.4060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8518 10.1577 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3618 11.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3039 10.7371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8658 10.9901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9152 9.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1380 10.3490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 11.5582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 10.9853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3768 11.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1582 9.4723 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2161 9.7417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2682 9.4934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7782 10.3420 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7203 10.0728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2822 10.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3316 9.3168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7672 10.7599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6683 10.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7932 10.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1990 9.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5263 8.8755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7722 9.1100 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 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 M END > LMISSP0505BN04 > > GalNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261287 > - > - > Active (generated by computational methods) > - $$$$