Accord 08271317182D 126132 0 0 0 0 0 0 0 0999 V2000 24.2672 7.2382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5398 7.6570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8122 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6876 6.5108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8467 6.5108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9949 7.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0847 5.2395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3573 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9358 8.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1344 8.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6245 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8913 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1582 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4250 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6917 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9585 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2254 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4922 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7589 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0257 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2926 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5594 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8261 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0929 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3598 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6266 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8933 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1602 6.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0787 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3455 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6123 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8791 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1459 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4128 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6795 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9463 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2131 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4800 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7467 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0135 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2804 7.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5472 7.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3345 9.6464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3993 9.9138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4584 9.6673 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9720 10.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9072 10.2424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4723 10.4935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5140 9.4920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7498 9.8572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4492 10.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8483 10.4888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9796 10.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7837 9.9519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8485 10.2193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9075 9.9727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4212 10.8151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3564 10.5479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9215 10.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9632 9.7975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1990 10.1627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4102 11.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2974 10.7943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4287 11.1396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7447 11.1071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8095 11.3745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8686 11.1280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3822 11.9703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3174 11.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8825 11.9543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9242 10.9527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1600 11.3179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3712 12.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2585 11.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3898 12.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7925 10.7474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1175 10.5146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3689 10.7474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1874 10.4477 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2522 10.7151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3113 10.4686 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8249 11.3109 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7601 11.0437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3252 11.2948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3669 10.2933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6027 10.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8139 11.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 11.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8325 11.6355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7837 10.7608 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0176 10.1614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6640 9.2553 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6967 9.3568 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4625 9.9565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0038 9.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4263 10.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 8.7937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2469 9.6701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8164 10.8626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 10.3628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1213 7.9235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1861 8.1909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2451 7.9444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7587 8.7867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6940 8.5195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2591 8.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3008 7.7691 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 8.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 9.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 8.7659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7663 9.1112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1691 7.5638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4940 7.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7455 7.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8550 10.2933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8638 9.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0516 9.2170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2945 8.4995 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4618 9.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0686 9.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3095 9.9038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9013 8.6316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5786 8.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2740 9.6802 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 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 64 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 74 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 88 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 114115 1 0 0 0 0 114116 2 0 0 0 0 99103 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 87117 1 0 0 0 0 M END > LMSP0503AL03 > > GalNAcbeta1-3Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C84H151N3O37 > 1794.00 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260574 > - > - > Active (generated by computational methods) > - $$$$