Accord 08271317192D 136143 0 0 0 0 0 0 0 0999 V2000 24.3206 7.0776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6463 7.4659 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9717 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.4032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9308 6.4032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.4670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2244 5.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5500 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0134 8.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2704 8.1167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8707 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1909 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5112 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8315 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1517 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4720 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7923 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1126 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4328 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7530 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0734 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3936 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7139 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0341 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3544 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6747 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9949 6.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3153 6.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2917 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6120 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9323 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2525 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5728 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8931 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2133 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5336 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8538 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1742 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4944 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8146 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 7.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4552 7.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.5475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3831 9.3102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5161 9.5581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6437 9.3295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1928 10.1105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0598 9.8628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6566 10.0956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6224 9.1670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9868 9.5056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7081 9.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9322 10.0912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1269 10.4113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0912 9.5934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2241 9.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3518 9.6128 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.9009 10.3937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7679 10.1460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3647 10.3788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3304 9.4503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6949 9.7888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8907 10.9017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6403 10.3744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8350 10.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7933 8.9821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9262 9.2300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0539 9.0014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6030 9.7824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4700 9.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0668 9.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0325 8.8389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3970 9.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1183 9.5026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3424 9.7631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5371 10.0832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9105 8.6486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2117 8.4328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5177 8.6486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4954 8.3707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6283 8.6187 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7560 8.3901 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3051 9.1710 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1721 8.9233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7689 9.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7346 8.2276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0991 8.5662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2949 9.6790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0445 9.1518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 9.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1975 7.7594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3304 8.0073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4581 7.7788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0072 8.5597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8742 8.3120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4710 8.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4367 7.6163 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8012 7.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5225 8.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 8.5404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9413 8.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3147 7.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6159 7.2102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9219 7.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8996 7.1481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0325 7.3960 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1602 7.1675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7093 7.9484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5763 7.7007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1731 7.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1389 7.0050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5033 7.3435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6991 8.4564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4487 7.9291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6434 8.2493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0479 8.7545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3656 8.3701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8146 8.9265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8937 9.2211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7393 9.5090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2376 9.6490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9345 8.2114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2720 8.7872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6303 8.7758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2903 8.9526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6437 9.9771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9614 9.5927 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4104 10.1492 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4895 10.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3351 10.7317 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8334 10.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5303 9.4340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8678 10.0099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2261 9.9985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8861 10.1753 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 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 100117 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 75127 1 0 0 0 0 M END > LMISSP0504BT03 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C90H161N3O41 > 1940.06 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260958 > - > - > Active (generated by computational methods) > - $$$$