Accord 08271317182D 117122 0 0 0 0 0 0 0 0999 V2000 21.7704 9.0165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0335 9.4407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2964 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1965 8.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3444 8.2796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5077 9.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5724 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5724 6.9917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8356 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4347 10.1357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6227 10.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0932 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3503 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6076 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8648 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1220 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3791 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6364 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8936 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1507 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4080 8.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6652 7.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6747 6.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4183 6.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4279 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 5.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9424 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2017 5.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4567 5.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7161 5.2628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9711 5.6847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 5.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4855 5.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7449 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5533 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8105 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0677 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3249 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8394 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0965 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3537 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6109 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8682 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1253 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3824 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6398 9.4406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 9.0165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5133 11.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8388 11.4577 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8909 11.7287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9371 11.4788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4441 12.3326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3921 12.0618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9513 12.3164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0071 11.3012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2190 11.6713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9142 12.0267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3459 12.3116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4654 12.6616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2397 11.7673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2918 12.0384 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3381 11.7885 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8451 12.6423 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7930 12.3715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3522 12.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4080 11.6108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6199 11.9810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8340 13.1977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7468 12.6212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8663 12.9712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6341 11.0990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6862 11.3700 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7325 11.1201 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2395 11.9739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1874 11.7031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7466 11.9576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8024 10.9425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0143 11.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7095 11.6680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1412 11.9529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2607 12.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6690 10.7344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9983 10.4985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2396 10.7344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0285 10.4306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0806 10.7016 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1268 10.4518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6338 11.3056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5818 11.0347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1409 11.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1968 10.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4087 10.6442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 11.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5356 11.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6551 11.6345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6779 10.2741 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2498 9.5327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4216 9.7497 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3910 9.5143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0265 10.2558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4764 10.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8734 9.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9885 9.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3910 8.9487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8548 10.0390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1907 12.1869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4447 11.7666 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8423 12.3750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8355 12.6970 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7599 13.0118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2114 13.1649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0667 11.5931 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2491 12.2227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5475 12.2102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3624 12.4035 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 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 > LMSP0504AI06 > > Fucalpha1-2Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C82H150N2O31 > 1659.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260681 > - > - > Active (generated by computational methods) > - $$$$