Accord 08271317182D 92 95 0 0 0 0 0 0 0 0999 V2000 22.9493 7.2360 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2255 7.6528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5016 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3676 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5308 6.5123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6733 7.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7727 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7727 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0490 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6196 8.3352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8222 8.3512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3198 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5903 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8608 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1313 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4018 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6723 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9428 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2132 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4838 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7542 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0247 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2952 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5656 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8362 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1066 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3772 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6476 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9181 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1886 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4591 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7296 6.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7718 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0422 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3127 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5832 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8536 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1242 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3946 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6652 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9356 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2062 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4766 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7470 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0176 7.6527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2880 7.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6785 9.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0163 9.6326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0856 9.8987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1493 9.6534 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.6652 10.4917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5959 10.2257 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1631 10.4757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1997 9.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4441 9.8424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1449 10.1913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5324 10.4710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6679 10.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4827 9.9366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5520 10.2027 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6157 9.9574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1316 10.7957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0623 10.5298 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6295 10.7797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6661 9.7830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9105 10.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1207 11.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9988 10.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1343 11.1186 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6113 12.0541 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6807 12.3202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7443 12.0749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2603 12.9131 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1909 12.6472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7581 12.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7948 11.9004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0392 12.2639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2493 13.4584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1274 12.8924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2629 13.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2241 12.3657 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4618 11.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1099 10.8675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1472 10.9686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9094 11.5653 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4529 11.3620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8685 11.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5425 10.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6997 11.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2615 12.4670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4753 11.9696 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 2 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 3 34 2 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 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 68 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 78 82 1 0 0 0 0 M END > LMISSP0502AL07 > > Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C66H121NO23 > 1295.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260258 > - > - > Active (generated by computational methods) > - $$$$