Accord 08271317182D 98102 0 0 0 0 0 0 0 0999 V2000 20.1782 7.2555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4474 7.6763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7164 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6007 6.5247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7558 6.5247 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.9094 7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9902 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9902 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2594 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8453 8.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0401 8.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5231 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7864 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0499 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3132 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5765 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8398 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1032 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3665 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6298 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8932 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1566 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4199 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6832 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9465 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4733 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7366 6.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9794 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2428 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5061 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7695 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0328 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2962 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5595 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8228 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0861 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3496 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6129 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8762 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1396 7.6762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4029 7.2555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9145 9.9323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2459 9.6751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3063 9.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3609 9.6961 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8722 10.5424 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8118 10.2740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.3749 10.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4215 9.5200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6490 9.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3469 10.2392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7573 10.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8846 10.8685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6783 9.9820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7387 10.2507 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7933 10.0030 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3046 10.8494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2442 10.5809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8073 10.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8539 9.8269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0814 10.1938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2936 11.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1897 10.8285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3170 11.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7793 12.1199 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.8397 12.3886 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8943 12.1409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4056 12.9872 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3452 12.7187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9083 12.9711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9549 11.9648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1824 12.3317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3946 13.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2907 12.9663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4180 13.3133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6335 12.7808 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8638 12.1785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5086 11.2681 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5366 11.3701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3061 11.9726 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8452 11.7674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2745 12.0226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9357 10.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0848 11.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6616 12.8830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8678 12.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1282 11.4048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7967 10.8820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4691 10.0991 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5574 9.0550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9175 9.7814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9861 9.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7189 11.5172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8342 9.6140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1126 8.9767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2450 10.5643 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 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 89 90 1 1 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 89 98 1 0 0 0 0 84 89 1 0 0 0 0 78 74 1 0 0 0 0 M END > LMSP0502AU03 > > Fucalpha1-2Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C68H125NO27 > 1387.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260326 > - > - > Active (generated by computational methods) > - $$$$