Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 22.2636 7.7675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5282 8.1908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7926 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6888 7.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8384 7.0320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.9993 8.1921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0681 6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0681 5.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3327 7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9285 8.8843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1182 8.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5918 6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8505 7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1092 6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3679 7.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6267 6.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0510 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3097 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5684 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8271 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0858 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3447 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6033 8.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8620 7.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6267 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8620 7.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0497 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2376 7.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4253 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6130 7.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8008 6.5706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8216 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0165 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2113 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4062 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6011 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7960 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9908 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1857 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3806 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5754 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7703 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9652 5.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0044 10.4604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3318 10.2017 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3865 10.4720 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4355 10.2228 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9439 11.0742 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8891 10.8042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4496 11.0580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5024 10.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7194 10.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4155 10.7692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8403 11.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9623 11.4022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7429 10.5105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7977 10.7808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8466 10.5316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3550 11.3830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3003 11.1129 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8607 11.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9135 10.3545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1305 10.7236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3439 11.9368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2514 11.3620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3734 11.7110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1475 9.8440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2022 10.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2512 9.8651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7596 10.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7048 10.4464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2653 10.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3181 9.6880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5351 10.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2312 10.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6560 10.6955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7780 11.0445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1851 9.4805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5135 9.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7569 9.4805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5586 10.1528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6133 10.4231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6623 10.1739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1707 11.0253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1159 10.7552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6764 11.0090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7292 9.9967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9462 10.3658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1596 11.5791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0671 11.0043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1891 11.3533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 10.4693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3441 9.8635 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9867 8.9476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0090 9.0503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7831 9.6563 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3194 9.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7572 9.7066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4104 8.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.3669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 10.5722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 10.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 9.9967 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2208 9.1431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3998 8.9089 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6346 8.1838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8037 9.1428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4064 8.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6712 9.6031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2479 8.3173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9218 7.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6247 9.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7073 9.9536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7162 9.0999 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8952 8.8658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1300 8.1406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2991 9.0996 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9018 8.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1666 9.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7433 8.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4172 7.6551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1201 9.3339 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 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 88 92 1 0 0 0 0 103104 1 1 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 103112 1 0 0 0 0 87103 1 0 0 0 0 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 74113 1 0 0 0 0 M END > LMISSP0505CY03 > > Galalpha1-3(Fucalpha1-2)Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C82H148N2O36 > 1736.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261558 > - > - > Active (generated by computational methods) > - $$$$