Accord 08271317192D 93 96 0 0 0 0 0 0 0 0999 V2000 21.5397 7.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8203 8.1266 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1008 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9556 6.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.1238 6.9931 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2593 8.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3702 6.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3702 5.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6509 6.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2119 8.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4193 8.8208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9262 6.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2011 6.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4760 6.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7508 6.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0258 6.5679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3754 8.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6503 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9251 8.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2000 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4748 8.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7499 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0247 8.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2996 7.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0258 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2996 7.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5051 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7106 7.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9161 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 7.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3271 6.5417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2383 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4507 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6632 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8756 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0880 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3005 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5129 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7254 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9378 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3627 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7876 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2643 10.3466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6064 10.0936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6818 10.3580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7515 10.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.2706 10.9471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1952 10.6829 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.7652 10.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7951 9.9410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0510 10.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7537 10.6487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1256 10.9265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2668 11.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0958 10.3956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1712 10.6600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2409 10.4163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7600 11.2491 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6846 10.9849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2547 11.2332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2846 10.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5404 10.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7492 11.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6150 11.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7562 11.5699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7307 10.7053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9733 10.1126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6237 9.2168 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6673 9.3172 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4245 9.9100 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9709 9.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3773 9.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0600 8.7604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2227 9.6269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7743 10.8059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9932 10.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0985 7.9001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1739 8.1644 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2436 7.9207 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7627 8.7535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6873 8.4893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2573 8.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2872 7.7474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5431 8.1085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2458 8.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6177 8.7330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7589 9.0744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1571 7.5445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4783 7.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7382 7.5445 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 65 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 M END > LMISSP0505DC04 > > GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C66H122N2O23 > 1310.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261591 > - > - > Active (generated by computational methods) > - $$$$