Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 23.3111 7.7392 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5840 8.1578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8567 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7315 7.0120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8907 7.0120 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0386 8.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1290 6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1290 5.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4019 7.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9798 8.8435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1786 8.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6693 6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9363 7.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2034 6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4704 7.0023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 6.5822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1234 8.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3904 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6574 8.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9245 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1914 8.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4586 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7256 8.1577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9926 7.7392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7375 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9926 7.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1894 6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 7.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5832 6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7801 7.0195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9770 6.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9414 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1453 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3493 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5532 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7571 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9610 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1649 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3688 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5727 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9805 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1844 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3883 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5922 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7961 5.7071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0436 10.4019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3786 10.1461 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4439 10.4134 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5036 10.1670 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0175 11.0088 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9521 10.7418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5175 10.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5585 9.9918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7955 10.3568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4950 10.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8926 10.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0244 11.3332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8299 10.4514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8953 10.7187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9550 10.4723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4689 11.3141 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4035 11.0471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9689 11.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0099 10.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2468 10.6621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4579 11.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3440 11.2934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4758 11.6385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4283 10.7644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6627 10.1654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3093 9.2598 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3426 9.3613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1080 9.9605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6495 9.7564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0712 10.0103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7396 8.7985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8931 9.6744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4616 10.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6720 10.3666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8108 12.2523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1424 12.9581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2076 13.2247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2177 14.1968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8862 13.4912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6398 13.9284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0265 12.5370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6947 13.7486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6143 14.2031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8210 13.2244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2495 13.9633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8087 12.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9698 12.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4443 12.6429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9493 13.9474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2809 14.6531 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3461 14.9197 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3562 15.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0247 15.1862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7783 15.6235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1650 14.2320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8332 15.4436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6255 16.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9595 14.9194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3880 15.6583 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 2 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 67 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 70 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 90 96 1 0 0 0 0 M END > LMISSP0506AN07 > > Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261922 > - > - > Active (generated by computational methods) > - $$$$