Accord 08271317182D 124130 0 0 0 0 0 0 0 0999 V2000 23.7195 7.2812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9793 7.7075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2388 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1473 6.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2915 6.5410 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.4600 7.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5161 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5161 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7760 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3822 8.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5667 8.4217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0303 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2841 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5380 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7919 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0458 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2997 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5535 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8074 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0613 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3152 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5690 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8229 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0768 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3307 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5846 6.1035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8384 6.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4924 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7462 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0001 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2540 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5079 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7618 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0156 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2695 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5234 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7773 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0312 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2850 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5390 7.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7929 7.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4649 9.9914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7879 9.7310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8365 10.0030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8793 9.7522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.3845 10.6092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3359 10.3373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8934 10.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9531 9.5739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1585 9.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8526 10.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2932 10.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4095 10.9393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1756 10.0418 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2242 10.3138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2670 10.0630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7722 10.9200 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7236 10.6481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2811 10.9036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3409 9.8847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5462 10.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7610 11.4774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6809 10.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7972 11.2501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2403 12.2064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.2889 12.4784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3317 12.2276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8368 13.0846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7882 12.8127 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3458 13.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4055 12.0493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6108 12.4208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8257 13.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7456 13.0634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8619 13.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6214 11.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6700 11.8076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7128 11.5568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2180 12.4138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1694 12.1419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7270 12.3974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7867 11.3785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9920 11.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2069 12.8358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1267 12.3926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2430 12.7439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6527 11.1697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9833 10.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2218 11.1697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0026 10.8648 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0512 11.1368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0940 10.8860 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5991 11.7429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5505 11.4711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1081 11.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1678 10.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3731 11.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5880 12.3003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5079 11.7218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6242 12.0731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5661 13.3688 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8857 14.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9341 14.3586 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9444 15.3481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6249 14.6298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3741 15.0750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7677 13.6585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4120 14.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3302 15.3546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5765 14.3583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9947 15.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5460 13.5470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7100 13.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1751 13.7663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4200 14.0436 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8497 14.7877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5888 14.2613 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7627 14.0251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1922 14.7694 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6401 14.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9995 15.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1541 13.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0235 14.5517 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 83 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 86101 1 0 0 0 0 116115 1 1 0 0 0 115117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 116124 1 0 0 0 0 108115 1 0 0 0 0 M END > LMISSP0502BJ02 > > Galbeta1-3(Fucalpha2-3GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260445 > - > - > Active (generated by computational methods) > - $$$$