Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 21.7902 9.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0525 9.4457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3145 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2168 8.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3637 8.2832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5284 9.4469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5908 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5908 6.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8531 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4541 10.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6412 10.1578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1098 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3661 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6224 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8788 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1352 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3914 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6478 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9041 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1604 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4167 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6731 7.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6826 6.9900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4271 6.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4367 5.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6951 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9494 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2078 5.6928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4620 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7205 5.6852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9746 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2332 5.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4873 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7458 5.6699 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 19.5705 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8268 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0831 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3395 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5957 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8522 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1084 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3648 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6211 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8775 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1337 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3900 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6464 9.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9027 9.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5340 11.7247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8587 11.4650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9096 11.7364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9548 11.4862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4612 12.3410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4102 12.0699 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9689 12.3247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0260 11.3083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2358 11.6789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9306 12.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3652 12.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4837 12.6703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2553 11.7750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3063 12.0464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3515 11.7962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8579 12.6510 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8069 12.3799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3656 12.6347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4227 11.6184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6324 11.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8468 13.2070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7619 12.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8804 12.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6455 11.1059 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6964 11.3772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7416 11.1271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2480 11.9819 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1970 11.7107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7557 11.9656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8128 10.9492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0226 11.3198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7174 11.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1520 11.9608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2705 12.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6792 10.7409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0089 10.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2493 10.7409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0356 10.4367 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0866 10.7081 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1317 10.4579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6381 11.3127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5872 11.0416 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1458 11.2964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2029 10.2800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4127 10.6506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 11.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5421 11.2916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6606 11.6420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6835 10.2800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2548 9.5377 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4257 9.7550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3938 9.5194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0301 10.2618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4793 10.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8792 9.7051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9920 9.3213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3938 8.9531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8593 10.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1980 12.1951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4511 11.7743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8480 12.3834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8400 12.7058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7655 13.0210 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2164 13.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0738 11.6006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2541 12.2309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5517 12.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3687 12.4120 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 2 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 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 80 87 1 0 0 0 0 98 99 1 1 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 98107 1 0 0 0 0 93 98 1 0 0 0 0 108109 1 1 0 0 0 109110 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 108117 1 0 0 0 0 81108 1 0 0 0 0 M END > LMISSP0504AI08 > > Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C82H148N2O31 > 1657.01 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260683 > - > - > Active (generated by computational methods) > - $$$$