Accord 08271317182D 120125 0 0 0 0 0 0 0 0999 V2000 23.4453 7.2909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7016 7.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9576 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8752 6.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0154 6.5473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.1894 7.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2362 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2362 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4926 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1066 8.4205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2871 8.4369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.7433 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9935 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2439 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4942 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7446 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9949 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2452 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4955 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7459 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9962 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2464 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4968 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7471 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2478 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4981 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7484 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9988 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4994 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7497 6.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.1077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2077 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4580 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7082 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9586 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2089 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4593 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7096 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9599 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2102 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4606 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7109 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9611 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2115 7.7191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4618 7.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1948 10.0155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5142 9.7538 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5578 10.0273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5956 9.7752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0982 10.6366 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0546 10.3633 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6098 10.6202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6751 9.5959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8710 9.9694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5635 10.3280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0169 10.6153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1286 10.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8830 10.0662 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9266 10.3397 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9643 10.0876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4669 10.9490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4233 10.6757 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9786 10.9326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0438 9.9083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2397 10.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4557 11.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3857 10.9277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4973 11.2809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9322 12.2422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9759 12.5157 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0136 12.2636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5162 13.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4726 12.8517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0278 13.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0931 12.0843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2890 12.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5050 13.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4349 13.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5466 13.4569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2944 11.5679 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3380 11.8413 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3757 11.5892 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8783 12.4507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8347 12.1774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3900 12.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4553 11.4100 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6511 11.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 12.8749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7971 12.4294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9087 12.7825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3206 11.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6529 10.9620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8874 11.2001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 10.8935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7001 11.1670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7379 10.9149 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2405 11.7763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1969 11.5031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7521 11.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8174 10.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0133 11.1091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2293 12.3366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1592 11.7551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2709 12.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2282 13.4107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5443 14.1329 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5876 14.4057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5980 15.4004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2821 14.6784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0300 15.1258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4256 13.7020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0628 14.9418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9806 15.4069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2387 14.4054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6539 15.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2028 13.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3676 13.2158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8299 13.8103 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 2 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 29 30 1 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 3 34 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 92107 1 0 0 0 0 M END > LMISSP0502AF07 > > Galbeta1-3(GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260210 > - > - > Active (generated by computational methods) > - $$$$