Accord 08271317192D 107111 0 0 0 0 0 0 0 0999 V2000 21.9071 7.7673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1718 8.1905 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4363 7.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3323 7.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4820 7.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6428 8.1918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7117 5.7467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9764 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5721 8.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7619 8.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2356 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4943 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7531 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0119 7.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2708 6.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6947 8.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9535 7.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2123 8.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4711 7.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7298 8.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9887 7.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2474 8.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5062 7.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2708 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5062 7.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6940 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8819 7.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0697 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2575 7.0394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4454 6.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4657 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6607 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2455 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4405 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6354 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8303 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0253 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2202 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4152 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6101 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8051 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6478 10.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9753 10.2013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0302 10.4715 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0792 10.2224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5877 11.0737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5328 10.8036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0933 11.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1460 10.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3631 10.4143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0593 10.7687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4838 11.0527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6060 11.4017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3867 10.5100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4416 10.7803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4907 10.5311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9991 11.3824 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9442 11.1124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5047 11.3662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5575 10.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7746 10.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9880 11.9362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8953 11.3614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0174 11.7104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7917 9.8436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8465 10.1138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8956 9.8647 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4040 10.7160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3492 10.4460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9096 10.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9624 9.6876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1795 10.0566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8756 10.4110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3002 10.6950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4223 11.0440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8293 9.4801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1577 9.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4012 9.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2031 10.1523 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2580 10.4226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3070 10.1734 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8155 11.0247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7606 10.7547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3211 11.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3738 9.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5909 10.3654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8044 11.5785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7117 11.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8338 11.3527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7632 10.4688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9890 9.8630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6316 8.9473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6540 9.0499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4280 9.6559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9644 9.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4020 9.7062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0554 8.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5902 8.4432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7856 10.5717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9872 10.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4916 9.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8750 9.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2400 9.1303 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 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 77 83 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 M END > LMISSP0505CE04 > > GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C74H135N3O28 > 1513.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261423 > - > - > Active (generated by computational methods) > - $$$$