Accord 08271317182D 109113 0 0 0 0 0 0 0 0999 V2000 23.5554 7.3033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8072 7.7340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0588 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9880 6.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.1229 6.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.3039 7.7353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3391 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3391 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5909 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2146 8.4395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3902 8.4561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.8372 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0830 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3289 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5747 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8207 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0665 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3123 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5582 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8040 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0499 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2957 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5416 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7874 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0333 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2791 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5250 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7708 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0166 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2625 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7542 6.1129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3044 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5502 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7960 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0419 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2877 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5336 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7794 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0253 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2711 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5171 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7629 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0087 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2546 7.7339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5004 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3097 10.0454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.6249 9.7820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6624 10.0572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6940 9.8035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.1934 10.6704 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1559 10.3954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7083 10.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7804 9.6231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9647 9.9989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6553 10.3598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1244 10.6490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2304 11.0044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9704 10.0964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0079 10.3716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0395 10.1179 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.5389 10.9848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5014 10.7098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0538 10.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1259 9.9375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3103 10.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5276 11.5487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4699 10.9634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5759 11.3188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0008 12.2863 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.0383 12.5615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0699 12.3078 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5693 13.1747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5318 12.8997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0842 13.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1563 12.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3407 12.5032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5580 13.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5003 13.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6063 13.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3397 11.6076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3772 11.8828 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4088 11.6291 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9082 12.4961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8707 12.2211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4231 12.4795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4952 11.4487 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6796 11.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8969 12.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8392 12.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9452 12.8301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3597 11.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6941 10.9979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9237 11.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8732 13.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1848 14.2020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2221 14.4766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2325 15.4777 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9210 14.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6673 15.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0654 13.7683 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6939 15.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4401 15.8509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8837 14.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2951 15.2372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8412 13.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0071 13.2790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4659 13.8774 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 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 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 79 96 1 0 0 0 0 M END > LMSP0502BC05 > > GalNAcbeta1-3(GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C76H139N3O28 > 1541.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260392 > - > - > Active (generated by computational methods) > - $$$$