Accord 08271317182D 105109 0 0 0 0 0 0 0 0999 V2000 20.3470 9.0242 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6071 9.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8670 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7748 8.2842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.9193 8.2842 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0873 9.4513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1441 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1441 6.9911 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4043 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0099 10.1478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1947 10.1642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6589 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9130 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1672 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4214 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6756 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9298 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1840 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4382 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6923 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9465 8.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2007 7.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2103 6.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9569 6.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9665 5.7017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2228 5.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4749 5.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7312 5.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9833 5.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2397 5.2551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 5.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7481 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1209 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3751 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6292 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8834 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1375 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3918 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6459 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9002 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1544 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4086 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6627 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9168 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1711 9.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4252 9.0242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0929 11.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4156 11.4752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4639 11.7474 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5063 11.4965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.0113 12.3537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9630 12.0818 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5204 12.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5806 11.3181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7852 11.6897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4792 12.0466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9207 12.3326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0367 12.6840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8019 11.7861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8502 12.0583 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8926 11.8074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3976 12.6646 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3493 12.3927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9067 12.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9669 11.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1715 12.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 13.2223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3070 12.6435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4230 12.9949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7092 12.9618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7574 13.2339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7998 12.9830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3048 13.8403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2566 13.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8140 13.8239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8741 12.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0787 13.1763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2937 14.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2143 13.8192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3302 14.1706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7401 12.5958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0708 12.3588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3090 12.5958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0889 12.2907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1372 12.5628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1795 12.3120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6845 13.1692 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6363 12.8973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1937 13.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2538 12.1336 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4585 12.5052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6734 13.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5940 13.1481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7100 13.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7329 12.1336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3030 11.3891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4715 11.6070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4367 11.3707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0747 12.1152 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5224 11.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9292 11.5570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0366 11.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4367 10.8028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9064 11.8975 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 2 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 3 34 2 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 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 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 68 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 78 85 1 0 0 0 0 96 97 1 1 0 0 0 97 98 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 96105 1 0 0 0 0 91 96 1 0 0 0 0 M END > LMISSP0503AI07 > > Fucalpha1-2Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O27 > 1482.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260554 > - > - > Active (generated by computational methods) > - $$$$