Accord 08271317192D 136143 0 0 0 0 0 0 0 0999 V2000 24.3075 7.5839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6201 7.9796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9324 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7050 6.8963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9100 6.8963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1899 5.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5024 6.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9943 8.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2368 8.6431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8098 6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1169 6.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4239 6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7309 6.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0381 6.4899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2391 7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5462 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8532 7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1602 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4671 7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7744 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0813 7.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3883 7.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0381 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3883 6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6290 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8698 6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1104 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3511 6.9034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5919 6.4650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2854 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5327 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7801 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0274 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2748 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5221 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7695 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0168 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2642 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5115 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 5.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.1013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3713 9.8594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4876 10.1121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5986 9.8792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1390 10.6751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0226 10.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6117 10.6599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5960 9.7136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9291 10.0586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6450 10.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9118 10.6554 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0910 10.9817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0163 10.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1326 10.4007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2436 10.1678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7840 10.9637 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6677 10.7112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2568 10.9485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2410 10.0022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5741 10.3472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7737 11.4814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5568 10.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7361 11.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6552 9.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7716 9.7777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8825 9.5448 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4230 10.3407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3066 10.0882 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8957 10.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8799 9.3792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2131 9.7242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9290 10.0555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1957 10.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3750 10.6473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7555 9.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0625 8.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3552 9.1852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3002 9.8137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4166 10.0663 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5276 9.8334 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0680 10.6293 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9516 10.3768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5407 10.6141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5249 9.6678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8581 10.0128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0576 11.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8408 10.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0200 10.9359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0842 10.1096 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3604 9.5432 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0263 8.6871 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1123 8.7830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8359 9.3496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4025 9.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 9.3966 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4876 8.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 9.0051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1702 10.2057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4238 9.7335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8303 9.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1887 9.3011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5951 8.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5687 7.4287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6851 7.6814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7960 7.4484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3364 8.2443 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2201 7.9919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8092 8.2291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7934 7.2828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1265 7.6279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3261 8.7620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1092 8.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2885 8.5510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3097 7.2828 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9106 6.5917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1386 6.7940 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1779 6.5746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7703 7.2658 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2575 7.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4920 6.7475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7349 6.3902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1779 6.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5424 7.0636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0413 9.6678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0496 8.8698 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2821 8.6509 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5668 7.9730 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7249 8.8695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3534 8.4902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4707 9.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1401 8.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8353 7.5191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4923 9.0885 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 99106 1 0 0 0 0 117118 1 1 0 0 0 118119 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 117126 1 0 0 0 0 112117 1 0 0 0 0 127128 1 1 0 0 0 128129 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 127136 1 0 0 0 0 87127 1 0 0 0 0 M END > LMSP0505AI03 > > Fucalpha1-2Galbeta1-3GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O41 > 1940.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261038 > - > - > Active (generated by computational methods) > - $$$$