Accord 08271317182D 129135 0 0 0 0 0 0 0 0999 V2000 22.9072 7.2959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1616 7.7253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4158 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3381 6.5505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4761 6.5505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6530 7.7265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6951 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6951 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9496 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5675 8.4282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7461 8.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1985 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4470 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6955 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9440 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1925 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4410 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6895 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9380 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1865 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4350 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6834 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9320 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1805 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4290 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6775 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9260 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1745 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4230 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6715 6.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9200 6.5405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6641 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9125 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1610 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4095 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6580 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9065 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1550 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4035 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6520 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9006 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1490 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3975 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6460 7.7252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8945 7.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6584 10.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9762 9.7648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0175 10.0389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0529 9.7862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5543 10.6497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5130 10.3758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0672 10.6332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1350 9.6065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3265 9.9809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0183 10.3403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4777 10.6284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5872 10.9824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3361 10.0779 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3774 10.3521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4128 10.0993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9142 10.9629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8729 10.6890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4271 10.9464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4950 9.9197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6865 10.2940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9030 11.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8376 10.9416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9471 11.2956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3782 12.2592 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.4195 12.5333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4549 12.2806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9563 13.1442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9150 12.8702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4692 13.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5370 12.1010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7285 12.4753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9451 13.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8797 13.1228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9892 13.4768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7315 11.5832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7728 11.8574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8082 11.6046 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3096 12.4682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2683 12.1943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8225 12.4517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8903 11.4250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0818 11.7993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2984 12.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2330 12.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 12.8009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7554 11.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0885 10.9759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3211 11.2145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0848 10.9072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1261 11.1814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1615 10.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6629 11.7922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6216 11.5183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1758 11.7757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2436 10.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4351 11.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6517 12.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5863 11.7709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6958 12.1249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 13.4306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9747 14.1545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0158 14.4280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0261 15.4251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7119 14.7013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4592 15.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8558 13.7225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4896 14.9654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 15.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6708 14.4277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0846 15.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6324 13.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7976 13.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2586 13.8312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7251 15.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0394 15.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0805 16.1667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0909 17.1638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7766 16.4400 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5239 16.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9205 15.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 16.7041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 17.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 16.1664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1493 16.9244 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 3 32 2 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 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 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 87 94 1 0 0 0 0 105106 1 1 0 0 0 107106 1 1 0 0 0 108107 1 1 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 109114 1 0 0 0 0 105114 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 116117 1 0 0 0 0 116118 2 0 0 0 0 90105 1 0 0 0 0 119120 1 1 0 0 0 121120 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 119128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 124129 1 0 0 0 0 113119 1 0 0 0 0 M END > LMISSP0502AG04 > > Galbeta1-3(Galbeta1-4GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C86H155N3O38 > 1838.03 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260215 > - > - > Active (generated by computational methods) > - $$$$