Accord 08271317182D 112117 0 0 0 0 0 0 0 0999 V2000 21.0707 7.3041 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3222 7.7352 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5733 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5033 6.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6379 6.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8195 7.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8538 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8538 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1053 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7296 8.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9049 8.4574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3512 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5967 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8422 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0877 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3332 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5786 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8241 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0696 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3151 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5606 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8061 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0516 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2971 6.1131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5425 6.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8185 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0640 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3095 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5550 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8005 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0459 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2914 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5369 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7824 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0279 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2734 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5189 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7645 7.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0099 7.3041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8244 10.0447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1399 9.7814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1778 10.0565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2098 9.8029 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7094 10.6695 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6715 10.3946 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2241 10.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2957 9.6226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4808 9.9983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1715 10.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6396 10.6481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7460 11.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4869 10.0957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5248 10.3708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5569 10.1172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0565 10.9838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0186 10.7089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5712 10.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6428 9.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 10.3125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0452 11.5474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9867 10.9624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0930 11.3176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5186 12.2847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.5565 12.5598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5885 12.3062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0881 13.1727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0502 12.8978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6028 13.1562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6745 12.1258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8596 12.5015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0769 13.7364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0183 13.1513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1247 13.5066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8591 11.6063 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8970 11.8814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9290 11.6278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4286 12.4944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3907 12.2195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9433 12.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0149 11.4475 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2000 11.8232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4173 12.9211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3588 12.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 12.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8795 11.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2138 10.9968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4437 11.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3923 13.4731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7042 14.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7419 14.4741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7523 15.4747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4405 14.7483 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1869 15.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5849 13.7661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2140 15.0133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9598 15.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4028 14.4737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8145 15.2344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3608 13.6533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5266 13.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9856 13.8751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 14.1181 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2513 14.3932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2833 14.1396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7829 15.0061 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7450 14.7312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2976 14.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3693 13.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.3349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 15.5698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7131 14.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8195 15.3400 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 71 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 95102 1 0 0 0 0 M END > LMISSP0502BL01 > > GalNAcbeta1-3(Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260460 > - > - > Active (generated by computational methods) > - $$$$