Accord 08271317192D 118123 0 0 0 0 0 0 0 0999 V2000 21.9765 7.7776 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2382 8.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4997 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4034 7.0392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5497 7.0392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.7152 8.2039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7762 6.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7762 5.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0379 7.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6401 8.8989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8266 8.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2940 6.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5498 7.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8055 6.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0612 7.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3171 6.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7551 8.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0108 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2666 8.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5223 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7779 8.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0339 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2895 8.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5452 7.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3171 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5452 7.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7297 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9143 7.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0988 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2832 7.0468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4678 6.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5087 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7003 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8920 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0836 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2753 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4669 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6585 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8502 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0418 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2334 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4251 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6167 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7203 10.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0450 10.2216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0960 10.4930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1411 10.2428 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6476 11.0976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5966 10.8265 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1553 11.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2123 10.0649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4221 10.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1170 10.7913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5515 11.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6700 11.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4417 10.5316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4927 10.8030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5378 10.5528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0443 11.4076 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9933 11.1365 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5520 11.3913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6090 10.3750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8188 10.7455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0331 11.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9482 11.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0667 11.7369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9877 10.8494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2103 10.2411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8515 9.3216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8698 9.4247 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.6470 10.0332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1815 9.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6250 10.0836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2729 8.8532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4134 9.7426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0061 10.9527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2043 10.4455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2860 7.9701 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.3369 8.2415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3821 7.9913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8885 8.8461 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8375 8.5750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3962 8.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4533 7.8135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6631 8.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8774 9.2671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7925 8.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9110 9.1754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3197 7.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6494 7.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8898 7.6052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3915 12.3603 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7127 13.0769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7635 13.3476 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7738 14.3347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.4526 13.6182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2024 14.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5950 12.6493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2427 13.8796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1612 14.3411 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4018 13.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8215 14.0976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3740 12.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5375 12.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0039 12.7568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4859 14.0814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8072 14.7980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8579 15.0688 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8682 16.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5470 15.3393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2969 15.7833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6895 14.3704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3371 15.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1417 16.5401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4963 15.0685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9159 15.8187 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 94 95 1 1 0 0 0 96 95 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 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 105106 1 0 0 0 0 105107 2 0 0 0 0 68 94 1 0 0 0 0 108109 1 1 0 0 0 110109 1 1 0 0 0 111110 1 1 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 112117 1 0 0 0 0 108117 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 111116 1 0 0 0 0 113118 1 0 0 0 0 102108 1 0 0 0 0 M END > LMISSP0506AK04 > > GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C80H145N3O33 > 1675.98 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261895 > - > - > Active (generated by computational methods) > - $$$$