Accord 08271317192D 101105 0 0 0 0 0 0 0 0999 V2000 21.9904 7.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2497 8.2120 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5088 7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4187 7.0449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5622 7.0449 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7314 8.2133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7863 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7863 5.7504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0456 7.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6530 8.9105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8368 8.9269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2994 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5527 7.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8061 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0595 7.0350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3130 6.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7619 8.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0153 7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2686 8.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5220 7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7753 8.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0289 7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2821 8.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5355 7.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3130 5.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5355 7.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7174 6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8994 7.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0812 6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2631 7.0525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4451 6.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5020 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6911 5.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8802 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0692 5.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2583 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4474 5.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6364 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8255 5.7157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7365 10.4980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0591 10.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1071 10.5096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1492 10.2587 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6540 11.1162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6061 10.8442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1633 11.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2238 10.0803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4279 10.4520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1218 10.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5641 11.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6798 11.4466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4444 10.5484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4923 10.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5344 10.5697 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0393 11.4272 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9913 11.1552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5486 11.4108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6090 10.3912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8131 10.7630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0281 11.9850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9493 11.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0650 11.7576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8230 9.8771 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8710 10.1494 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9131 9.8984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4180 10.7559 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3700 10.4839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9273 10.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9877 9.7200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1918 10.0917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8857 10.4487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3280 10.7348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4437 11.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8537 9.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1845 9.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4224 9.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2083 10.1881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2563 10.4603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2984 10.2094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8032 11.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7553 10.7949 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3125 11.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3730 10.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5771 10.4027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7921 11.6247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7133 11.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8290 11.3973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7433 10.5069 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9634 9.8967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6035 8.9743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6187 9.0777 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3984 9.6881 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9314 9.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3795 9.7387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 8.5044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7586 10.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9543 10.1017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4697 9.5075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 9.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2163 9.1586 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 M END > LMSP0505CE01 > > GlcNAcalpha1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H123N3O28 > 1429.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261420 > - > - > Active (generated by computational methods) > - $$$$