Accord 08271317182D 139146 0 0 0 0 0 0 0 0999 V2000 24.1354 7.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3881 7.7312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6405 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5674 6.5536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.7033 6.5536 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.8831 7.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9204 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9204 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1732 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7950 8.4358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9716 8.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4203 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6669 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9137 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1603 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4071 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6537 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9005 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1471 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3939 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6406 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8872 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1340 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3806 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6274 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8740 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3674 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6142 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8608 6.1118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1076 6.5436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8869 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1336 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3802 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6270 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8736 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1204 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3671 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6138 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8605 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1072 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3539 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6005 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8473 7.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0939 7.3008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8884 10.0386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2046 9.7756 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2436 10.0504 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2767 9.7970 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.7769 10.6626 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7379 10.3881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2910 10.6461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3614 9.6169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5486 9.9922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2396 10.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7049 10.6413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8123 10.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5558 10.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5948 10.3643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6279 10.1110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1281 10.9766 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0891 10.7020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6422 10.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7126 9.9309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8998 10.3061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1168 11.5396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0561 10.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1635 11.3101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5908 12.2760 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 16.6298 12.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6629 12.2975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1631 13.1631 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1241 12.8885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6772 13.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7476 12.1174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9348 12.4926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1518 13.7261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0911 13.1417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1985 13.4966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9354 11.5984 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9744 11.8732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0075 11.6199 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5076 12.4855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4687 12.2109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0218 12.4690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0922 11.4398 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2794 11.8150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4964 12.9117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4357 12.4641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5430 12.8190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9569 11.2288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2908 10.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5216 11.2288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8592 13.4502 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.8982 13.7250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9313 13.4716 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4315 14.3372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3925 14.0627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9456 14.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0160 13.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2032 13.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 14.0271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3595 14.3159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4669 14.6707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8808 13.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2147 12.8414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4454 13.0806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2104 13.7641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2494 14.0389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 13.7856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7827 14.6511 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7437 14.3766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2968 14.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 13.6054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 13.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7714 15.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7107 14.6298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8181 14.9846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3616 13.5616 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3706 12.6937 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5360 12.4556 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7580 11.7183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9299 12.6933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5259 12.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8286 13.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3815 11.8541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0499 11.2247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7646 12.9315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2799 10.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3129 10.6681 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6096 9.9579 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7387 10.4486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7057 10.7014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1897 10.6960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6350 10.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8836 9.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4425 10.9274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 11.4116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4602 11.2626 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 91 92 1 0 0 0 0 91 93 2 0 0 0 0 76 80 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 90 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 119120 1 1 0 0 0 120121 1 1 0 0 0 122121 1 1 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 123128 1 0 0 0 0 120125 1 0 0 0 0 121126 1 0 0 0 0 122127 1 0 0 0 0 119128 1 0 0 0 0 101119 1 0 0 0 0 129130 1 1 0 0 0 131130 1 1 0 0 0 132131 1 1 0 0 0 132133 1 0 0 0 0 133134 1 0 0 0 0 133138 1 0 0 0 0 129138 1 0 0 0 0 130135 1 0 0 0 0 131136 1 0 0 0 0 132137 1 0 0 0 0 134139 1 0 0 0 0 87129 1 0 0 0 0 M END > LMSP0502AH04 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-6(Galbeta1-3)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C92H165N3O42 > 1984.09 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260223 > - > - > Active (generated by computational methods) > - $$$$