Accord 08271317192D 89 92 0 0 0 0 0 0 0 0999 V2000 18.4492 7.7235 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7267 8.1394 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0039 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8670 7.0009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0315 7.0009 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.1721 8.1407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2746 6.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2746 5.7380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5520 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1200 8.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3239 8.8368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8241 6.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0957 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3674 6.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6390 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9108 6.5738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2753 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5469 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8186 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0902 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3618 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6336 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9052 8.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1768 7.7235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9108 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1768 7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3787 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5807 7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7827 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9846 7.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1866 6.5475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1197 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3286 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5375 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7465 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9554 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1643 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3732 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5822 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7911 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1771 10.3694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5162 10.1153 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5875 10.3808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6531 10.1360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1700 10.9725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0988 10.7072 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6669 10.9566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7014 9.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9494 10.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6508 10.6728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0333 10.9519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1707 11.2948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9900 10.4186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0612 10.6842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1268 10.4394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6438 11.2759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5725 11.0105 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1406 11.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1751 10.2653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4232 10.6280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6329 11.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5071 11.2553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6444 11.5982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6098 10.7296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8490 10.1344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4979 9.2345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5372 9.3354 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2978 9.9308 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8422 9.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2549 9.9802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9317 8.7761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0906 9.6465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6492 10.8307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8646 10.3343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9659 7.9119 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0371 8.1775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1027 7.9326 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6197 8.7692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5484 8.5038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1165 8.7532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1510 7.7586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3991 8.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1005 8.4695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4829 8.7485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6203 9.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0202 7.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3429 7.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5995 7.5547 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 1 0 0 0 0 M END > LMISSP0505DC02 > > GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C62H114N2O23 > 1254.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261589 > - > - > Active (generated by computational methods) > - $$$$