Accord 08271317182D 93 96 0 0 0 0 0 0 0 0999 V2000 21.7343 7.2654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9998 7.6884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2651 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1588 6.5311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3097 6.5311 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4691 7.6896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5402 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5402 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8059 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3997 8.3809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5905 8.3971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0659 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3256 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5853 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8450 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1047 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3643 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6241 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8837 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1435 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4031 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6627 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9225 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1821 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4419 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7015 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9612 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2209 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4806 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7403 6.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5246 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7842 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0438 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3036 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5632 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8230 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0826 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3423 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6020 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8617 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1214 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3810 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6407 7.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9004 7.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4743 9.9560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8023 9.6975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8579 9.9676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9076 9.7186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4164 10.5693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3609 10.2994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9217 10.5531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9736 9.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1921 9.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8884 10.2645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3112 10.5483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4340 10.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2164 10.0060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2719 10.2761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3217 10.0271 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8305 10.8778 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7750 10.6080 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3358 10.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3877 9.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6062 10.2189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8194 11.4311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7253 10.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8481 11.2055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1474 11.1727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2030 11.4427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2527 11.1938 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7615 12.0444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7060 11.7746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2668 12.0282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3188 11.0168 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 11.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7505 12.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6563 12.0234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7791 12.3722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1858 10.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5140 10.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7580 10.8095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 10.5067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6106 10.7768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6603 10.5278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1691 11.3785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1136 11.1087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6744 11.3623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 10.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9448 10.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1581 11.9318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0639 11.3575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1867 11.7062 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 16 17 1 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 24 25 1 0 0 0 0 25 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 3 32 2 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 66 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 M END > LMISSP0503AB04 > > Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C66H122N2O23 > 1310.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260495 > - > - > Active (generated by computational methods) > - $$$$