Accord 08271317182D 118123 0 0 0 0 0 0 0 0999 V2000 22.2825 9.0087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5472 9.4320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8116 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7077 8.2733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8575 8.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0183 9.4332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0870 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0870 6.9881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3517 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9475 10.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1373 10.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6109 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8696 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1284 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3872 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6459 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9046 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1634 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4222 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9397 8.2634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1984 7.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2080 6.9844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9500 6.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9595 5.7065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2204 5.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4771 5.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7380 5.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9946 5.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2555 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5120 5.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7731 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0296 5.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2905 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5472 5.6685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0701 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3288 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5875 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8463 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1050 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3639 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6226 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8813 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1401 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3989 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6576 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9163 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1751 9.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4338 9.0087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0239 11.7036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3508 11.4447 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4048 11.7152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4531 11.4658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9611 12.3179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9071 12.0476 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4672 12.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5208 11.2886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7364 11.6579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4323 12.0126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8589 12.2968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9803 12.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7592 11.7537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8133 12.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8615 11.7748 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3696 12.6269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3155 12.3566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8756 12.6106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9293 11.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1449 11.9669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3585 13.1811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2673 12.6058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3887 12.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1611 11.0867 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2152 11.3572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2635 11.1079 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7715 11.9599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7174 11.6896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2775 11.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3312 10.9306 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5468 11.2999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2427 11.6546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6693 11.9389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7906 12.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1980 10.7230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5267 10.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 10.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5630 10.4198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6171 10.6902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6654 10.4409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1734 11.2929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1193 11.0226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6795 11.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 10.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9487 10.6330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1623 11.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0712 11.2719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1926 11.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1203 10.7365 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3454 10.1302 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9878 9.2137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0093 9.3164 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7840 9.9229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3200 9.7163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7588 9.9733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4111 8.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1418 10.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3427 10.3339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 10.2636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2242 9.4093 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4027 9.1750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6369 8.4493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8061 9.4090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4085 9.0030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6750 9.8697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2507 8.5829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9243 7.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6277 9.6434 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 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 94 98 1 0 0 0 0 109110 1 1 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 113118 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 109118 1 0 0 0 0 93109 1 0 0 0 0 M END > LMISSP0504AE06 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C82H150N2O32 > 1675.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260649 > - > - > Active (generated by computational methods) > - $$$$