Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 22.8258 9.0087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0890 9.4329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3519 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2519 8.2718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3999 8.2718 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5631 9.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6279 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6279 6.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8910 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4901 10.1278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6782 10.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1487 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4059 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6631 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9204 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1777 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4348 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6921 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9493 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2065 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4638 8.2619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7210 7.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7306 6.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4741 6.5557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4837 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7430 5.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 5.6921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 5.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5126 5.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7721 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0271 5.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2866 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5416 5.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6088 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8661 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1232 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3805 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6376 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8950 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1522 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4094 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6667 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9240 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1811 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4383 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6956 9.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9528 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5687 11.7092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8942 11.4498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9463 11.7208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9926 11.4709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4997 12.3247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4475 12.0539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0067 12.3084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0625 11.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2745 11.6634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9697 12.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4013 12.3036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5209 12.6536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2953 11.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3474 12.0304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3937 11.7805 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9007 12.6343 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8486 12.3635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4078 12.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4636 11.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6756 11.9730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8896 13.1897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8024 12.6132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9220 12.9632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6898 11.0910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7419 11.3621 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7882 11.1122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2953 11.9660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2431 11.6952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8023 11.9497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8581 10.9346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0701 11.3047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7653 11.6601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1969 11.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3165 12.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7247 10.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0540 10.4906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2953 10.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0843 10.4227 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1365 10.6937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1828 10.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6898 11.2976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6377 11.0268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1969 11.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2527 10.2662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4646 10.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6787 11.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5915 11.2766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7110 11.6266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4789 9.7544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5310 10.0254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5773 9.7755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0843 10.6293 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0322 10.3585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5914 10.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6472 9.5979 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8592 9.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9860 10.6082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1056 10.9582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5138 9.3898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8431 9.1539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0844 9.3898 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 2 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 M END > LMISSP0504AJ07 > > GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C76H137N3O28 > 1539.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260690 > - > - > Active (generated by computational methods) > - $$$$