Accord 08271317192D 140147 0 0 0 0 0 0 0 0999 V2000 24.4233 7.1520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8507 7.4815 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2780 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7543 6.5793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0922 6.5793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9961 7.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4925 5.5787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9199 6.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1624 8.0215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5315 8.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3431 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7660 6.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1888 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6117 6.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0346 6.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7006 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1235 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5464 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9692 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3920 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8150 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2378 7.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6607 7.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0346 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6607 6.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0283 6.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3959 6.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7635 6.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1311 6.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4988 6.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4078 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7809 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1541 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5273 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9004 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2736 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6467 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0199 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3930 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7662 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1393 5.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5125 5.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.2486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4764 9.0472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7404 9.2576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0000 9.0636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.6173 9.7264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3532 9.5162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0110 9.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8307 8.9257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4424 9.2130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2058 9.4890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0937 9.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4101 9.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6822 9.2876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9463 9.4980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2058 9.3040 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.8231 9.9668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5590 9.7566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2168 9.9542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0365 9.1661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6483 9.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8145 10.3980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2995 9.9505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6160 10.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8829 8.7687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1470 8.9791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4066 8.7851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0238 9.4479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7598 9.2377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4175 9.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2372 8.6472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8490 8.9345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6124 9.2105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5003 9.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8167 9.7033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1336 8.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3893 8.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8003 8.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0888 9.0091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3528 9.2195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6124 9.0255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2297 9.6883 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9656 9.4781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6234 9.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4431 8.8876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0548 9.1749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2210 10.1195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7061 9.6720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0225 9.9437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2895 8.4902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5536 8.7006 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8132 8.5066 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4304 9.1694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1663 8.9592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8241 9.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6438 8.3687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2556 8.6560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0190 8.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9068 9.1531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2233 9.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5402 8.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7959 8.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2069 8.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4953 8.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7594 8.9410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0190 8.7470 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6362 9.4098 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3722 9.1996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0299 9.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8496 8.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4614 8.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6276 9.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1127 9.3935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4291 9.6652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6961 8.2117 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9602 8.4221 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2197 8.2281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8370 8.8909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5729 8.6807 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2307 8.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0504 8.0902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 8.3775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4256 8.6535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3134 8.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6299 9.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9468 7.9287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2025 7.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6134 7.9287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6111 8.5755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6180 7.9108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9789 7.7285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3831 7.1640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5148 7.9106 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2054 7.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9687 8.2690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8606 7.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6067 6.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1539 8.0930 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 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 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 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 132133 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 131140 1 0 0 0 0 99131 1 0 0 0 0 M END > LMISSP0505BH03 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C92H164N4O42 > 1997.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261238 > - > - > Active (generated by computational methods) > - $$$$