Accord 08271317192D 144152 0 0 0 0 0 0 0 0999 V2000 24.3400 7.4624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6848 7.8396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0294 7.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7188 6.8071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9612 6.8071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 6.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2748 5.6620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6196 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0415 8.4575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3195 8.4719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9595 6.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2990 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6386 6.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9781 6.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3177 6.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3686 7.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7082 7.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0477 7.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3872 7.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7267 7.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0664 7.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4058 7.8395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7454 7.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3177 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7454 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0217 6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2980 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5743 6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8506 6.8139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1270 6.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6004 5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8830 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1657 5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4483 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7310 5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0136 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2963 5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5789 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8616 5.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1442 5.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4007 9.6313 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5586 9.8721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7112 9.6501 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2732 10.4086 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1154 10.1680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7238 10.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6618 9.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0732 9.8211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8024 10.1369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9628 10.3899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1806 10.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2031 9.9064 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3610 10.1472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5136 9.9252 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0756 10.6837 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9178 10.4431 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5262 10.6693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4642 9.7673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8756 10.0962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0658 11.1771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7652 10.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9830 10.9760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9997 9.3126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1576 9.5534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3102 9.3314 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8722 10.0899 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7144 9.8493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3228 10.0755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2608 9.1735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6722 9.5024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4014 9.8181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5618 10.0712 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 10.3822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1423 8.9887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4349 8.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7608 8.9887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8021 9.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9600 9.8285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1126 9.6065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6746 10.3650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5168 10.1244 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1252 10.3506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0632 9.4486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4745 9.7775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6647 10.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 10.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5820 10.6573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5987 8.9938 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7565 9.2347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9092 9.0127 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4712 9.7712 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3134 9.5306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9217 9.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8598 8.8548 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2711 9.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0004 9.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1608 9.7525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 10.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7412 8.6700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0339 8.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3597 8.6700 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4011 9.2690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5589 9.5098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7116 9.2878 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2736 10.0463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1158 9.8057 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7241 10.0318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6622 9.1299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0735 9.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 10.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9632 10.0276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1810 10.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2012 9.1299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8208 8.4712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0851 8.6640 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1694 8.4549 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7340 9.1137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2453 8.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3749 8.6197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7002 8.2792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1694 7.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4699 8.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5336 9.0915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5415 8.3309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8101 8.1223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1283 7.4762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2790 8.3306 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9249 7.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9428 8.7408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6747 7.5951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3841 7.0436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0104 8.5393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9346 9.4102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9425 8.6496 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2111 8.4410 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5293 7.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6800 8.6493 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3259 8.2878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3439 9.0595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0757 7.9138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7852 7.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4114 8.8580 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 110115 1 0 0 0 0 125126 1 1 0 0 0 126127 1 1 0 0 0 128127 1 1 0 0 0 128129 1 0 0 0 0 129130 1 0 0 0 0 129134 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 128133 1 0 0 0 0 125134 1 0 0 0 0 97125 1 0 0 0 0 135136 1 1 0 0 0 136137 1 1 0 0 0 138137 1 1 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 139144 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 138143 1 0 0 0 0 135144 1 0 0 0 0 72135 1 0 0 0 0 M END > LMSP0505BA02 > > Fucalpha1-2Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C94H167N3O45 > 2058.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261181 > - > - > Active (generated by computational methods) > - $$$$