Accord 08271317182D 116121 0 0 0 0 0 0 0 0999 V2000 24.3208 7.0790 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6466 7.4672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9722 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.4048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9310 6.4048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2248 5.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5506 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0136 8.1029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2708 8.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8713 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1917 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5122 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8326 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1530 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4734 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7939 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1142 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4346 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7550 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0755 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3959 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7163 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0367 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3572 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6775 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9979 6.0063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3184 6.3959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2923 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6128 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9331 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2535 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5739 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8944 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2148 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5352 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8556 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1761 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4964 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8168 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1373 7.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4577 7.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3832 9.3112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5164 9.5590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6442 9.3305 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1934 10.1113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0602 9.8636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6571 10.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6227 9.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9875 9.5065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7088 9.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9325 10.0920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1273 10.4121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0920 9.5943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2252 9.8422 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3530 9.6137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9022 10.3944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7690 10.1468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3659 10.3795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3314 9.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6963 9.7897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8920 10.9023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6413 10.3752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8361 10.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7948 8.9831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9280 9.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0558 9.0025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6050 9.7833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4718 9.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0687 9.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0343 8.8400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3991 9.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1204 9.5035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3441 9.7640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5389 10.0841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9122 8.6498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2134 8.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5196 8.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4976 8.3719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6308 8.6198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7586 8.3913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3078 9.1721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1746 8.9244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7715 9.1572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7371 8.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1019 8.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2977 9.6799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0469 9.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2417 9.4729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2004 7.7607 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3336 8.0086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4614 7.7801 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0106 8.5609 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8775 8.3132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4744 8.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4399 7.6176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8047 7.9561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5260 8.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7497 8.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9445 8.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3178 7.4274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6190 7.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9252 7.4274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9032 7.1495 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0364 7.3974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1643 7.1689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7134 7.9497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5803 7.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1772 7.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1427 7.0064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5075 7.3449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7033 8.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4525 7.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 8.2505 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 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 74 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 M END > LMISSP0504AL03 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260702 > - > - > Active (generated by computational methods) > - $$$$