Accord 08271317192D 116121 0 0 0 0 0 0 0 0999 V2000 24.3206 7.5394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6461 7.9276 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9714 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7105 6.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9306 6.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 6.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2241 5.6860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5496 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0133 8.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2701 8.5786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8701 6.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1902 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5103 6.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8304 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1506 6.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2912 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6113 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9315 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2516 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5716 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8919 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2119 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5320 7.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1506 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5320 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7870 6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0421 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2971 6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5521 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8072 6.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4121 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6737 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9352 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1968 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4583 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7199 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9814 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2430 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5045 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7661 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0276 5.2281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2892 5.6544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.7720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5162 10.0199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6439 9.7913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1930 10.5722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0600 10.3245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6568 10.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6225 9.6289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9871 9.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7083 10.2924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9323 10.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1271 10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0915 10.0552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2245 10.3031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3522 10.0745 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9014 10.8554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7683 10.6077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3652 10.8405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3308 9.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6954 10.2506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8912 11.3633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6407 10.8361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8354 11.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7938 9.4439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9269 9.6918 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0546 9.4633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6037 10.2441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4707 9.9964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0675 10.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0332 9.3008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3978 9.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1190 9.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3430 10.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5378 10.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9111 9.1105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2123 8.8947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5184 9.1105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5022 9.7271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6352 9.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7630 9.7464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3121 10.5273 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1790 10.2796 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7759 10.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7415 9.5840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1061 9.9225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3019 11.0352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0514 10.5081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2461 10.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2045 9.1158 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3376 9.3637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4653 9.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0144 9.9160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8814 9.6683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4782 9.9011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4439 8.9727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8085 9.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5298 9.6363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7537 9.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9485 10.2169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3218 8.7824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6231 8.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9291 8.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9069 8.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0399 8.7524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1677 8.5239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7168 9.3048 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5837 9.0571 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1806 9.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1462 8.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5108 8.6999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 9.8127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4561 9.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6508 9.6056 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 M END > LMSP0505BG03 > > Galbeta1-3GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C78H141N3O33 > 1647.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261230 > - > - > Active (generated by computational methods) > - $$$$