Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 23.5767 7.7754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8391 8.2000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1012 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0032 7.0376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1502 7.0376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3147 8.2012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3775 6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3775 5.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6398 7.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2406 8.8956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4278 8.9119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8966 6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1530 7.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4094 6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6658 7.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9223 6.6015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3572 8.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6136 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8700 8.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1264 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3827 8.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6393 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8956 8.1999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1520 7.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9223 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1520 7.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3372 6.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5225 7.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7077 6.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8929 7.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0782 6.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1147 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3070 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4994 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6917 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8841 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0764 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2688 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4612 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6535 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8459 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0382 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2306 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4229 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6153 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8076 5.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3198 10.4767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6451 10.2172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6970 10.4883 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7430 10.2384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.2498 11.0924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1980 10.8215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7571 11.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8132 10.0607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0246 10.4309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7197 10.7864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1521 11.0713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2714 11.4214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0450 10.5269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0969 10.7980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1429 10.5481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.6497 11.4021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5979 11.1312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1570 11.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2131 10.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4245 10.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6386 11.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5520 11.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6713 11.7312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5941 10.8444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8174 10.2367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4589 9.3180 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4781 9.4210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2546 10.0289 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7895 9.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2318 10.0793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8808 8.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0221 9.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6133 10.9476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8123 10.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8948 7.9677 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9466 8.2388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9926 7.9889 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4995 8.8429 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4476 8.5720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0067 8.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0628 7.8112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2742 8.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4883 9.2635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4017 8.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5210 9.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9294 7.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2588 7.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4998 7.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9966 12.3540 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3185 13.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3701 13.3404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3804 14.3266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0586 13.6107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8087 14.0544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2009 12.6427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.8498 13.8719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7683 14.3330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0070 13.3401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4272 14.0897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9800 12.5316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1434 12.1607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6103 12.7501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0936 14.0736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4155 14.7895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4671 15.0600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4774 16.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1556 15.3303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9057 15.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2979 14.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9468 15.5915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7506 16.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1040 15.0597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5242 15.8094 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 2 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 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 70 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMISSP0506AK07 > > GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261898 > - > - > Active (generated by computational methods) > - $$$$