Accord 08271317192D 103107 0 0 0 0 0 0 0 0999 V2000 21.7333 7.7414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0056 8.1603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2776 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1541 7.0135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3125 7.0135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4614 8.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5502 6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5502 5.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8224 7.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4017 8.8466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5998 8.8627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0892 6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3556 7.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8884 7.0038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1549 6.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5437 8.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8101 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0765 8.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3429 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6092 8.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8758 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1421 8.1602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4085 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1549 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4085 7.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6046 6.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8009 7.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9970 6.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1932 7.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3895 6.5569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3581 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5614 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7646 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9678 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1710 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3742 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5775 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7807 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9839 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1871 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3903 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5936 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4664 10.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8008 10.1503 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8654 10.4178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9242 10.1712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4377 11.0138 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3731 10.7465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9381 10.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9801 9.9959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2155 10.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9147 10.7119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3144 10.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4455 11.3384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2491 10.4559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3137 10.7234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3725 10.4768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8860 11.3194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8215 11.0521 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3865 11.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4284 10.3015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6638 10.6668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8751 11.8674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7627 11.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8939 11.6440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6910 9.7963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7556 10.0638 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8144 9.8172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3279 10.6598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2633 10.3925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8283 10.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8703 9.6419 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1057 10.0072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8049 10.3579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2046 10.6390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3357 10.9844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7386 9.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0636 9.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3148 9.4366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 10.1019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2039 10.3694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2627 10.1228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7762 10.9654 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7117 10.6981 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2767 10.9493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3186 9.9475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 10.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7653 11.5134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6529 10.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7841 11.2900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8066 9.9475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3841 9.2158 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5668 9.4300 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5498 9.1977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1769 9.9295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6341 9.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9995 9.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1394 9.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 8.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 9.7155 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 95 96 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 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 94103 1 0 0 0 0 89 94 1 0 0 0 0 M END > LMSP0505AD04 > > Fucalpha1-2Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O27 > 1456.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44260999 > - > - > Active (generated by computational methods) > - $$$$