Accord 08271317192D 95 98 0 0 0 0 0 0 0 0999 V2000 23.1043 7.7111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3853 8.1249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6662 7.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5199 6.9921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6886 6.9921 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8235 8.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9355 6.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9355 5.7356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2166 6.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7767 8.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9846 8.8187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4923 6.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7676 6.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0429 6.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3182 6.9824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5936 6.5671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9412 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2165 7.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4919 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7672 7.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0424 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3179 7.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5931 8.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8684 7.7111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5936 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8684 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0743 6.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2803 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4863 6.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6922 6.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8982 6.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8065 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0194 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2323 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4452 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6581 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8710 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0839 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2968 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5097 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7226 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9355 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1484 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3613 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7871 5.7019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8285 10.3437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1709 10.0908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2469 10.3550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3171 10.1114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8365 10.9438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7606 10.6797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3309 10.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3602 9.9383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6170 10.2991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3199 10.6455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6904 10.9232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8321 11.2644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6624 10.3926 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7383 10.6569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8086 10.4133 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3280 11.2456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.2521 10.9816 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8224 11.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8516 10.2401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1085 10.6009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3172 11.7870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1819 11.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3236 11.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2992 10.7021 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5423 10.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1929 9.2145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2371 9.3148 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9938 9.9073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5405 9.7055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9461 9.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6295 8.7584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7927 9.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3434 10.8026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5628 10.3088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6685 7.8985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7445 8.1627 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8147 7.9192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3341 8.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2582 8.4875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8285 8.7356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8578 7.7460 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1146 8.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8175 8.4533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1881 8.7309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 9.0721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7277 7.5432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0488 7.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3091 7.5432 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 2 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 67 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 M END > LMISSP0505DC07 > > GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C68H124N2O23 > 1336.86 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261594 > - > - > Active (generated by computational methods) > - $$$$