Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 20.8071 7.3033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0589 7.7342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3104 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2396 6.5551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3745 6.5551 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.5557 7.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5907 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5907 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8425 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4662 8.4397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6418 8.4562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0887 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3345 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5802 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8260 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0718 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3175 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5633 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8091 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0548 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3006 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5464 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0379 6.1128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2837 6.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5558 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8016 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0474 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2931 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5389 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7847 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0304 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2762 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5220 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7677 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0135 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2593 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5052 7.7341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7509 7.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5606 10.0429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8763 9.7797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9146 10.0547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9469 9.8012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4467 10.6675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4085 10.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9613 10.6509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0325 9.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2183 9.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9091 10.3571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3762 10.6461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4829 11.0012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2248 10.0939 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2630 10.3689 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2954 10.1154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7952 10.9816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7569 10.7068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3097 10.9651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3809 9.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5667 10.3107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7839 11.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7247 10.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8314 11.3153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2575 12.2820 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2958 12.5570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3282 12.3035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8280 13.1698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7897 12.8950 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3425 13.1532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 12.1233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5995 12.4988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8167 13.7332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7574 13.1484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8641 13.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5993 11.6039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6376 11.8789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6700 11.6254 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1698 12.4916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1315 12.2169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6843 12.4751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7555 11.4452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9413 11.8207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1585 12.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0993 12.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2060 12.8254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6201 11.2341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9543 10.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1845 11.2341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 13.4571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5599 13.7321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5923 13.4785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0921 14.3448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0538 14.0700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6066 14.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6778 13.2983 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8636 13.6738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 14.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0215 14.3234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1282 14.6785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5424 13.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8766 12.8478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1068 13.0872 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 84 88 1 0 0 0 0 M END > LMISSP0502BD01 > > GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H123N3O28 > 1429.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260396 > - > - > Active (generated by computational methods) > - $$$$