Accord 08271317192D 87 90 0 0 0 0 0 0 0 0999 V2000 17.6640 7.7357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9379 8.1537 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2116 7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0838 7.0095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2442 7.0095 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3904 8.1549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4835 6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4835 5.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7574 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3332 8.8384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5331 8.8545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0259 6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2939 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5620 6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8301 6.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0982 6.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4793 8.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7474 7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0154 8.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2835 7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5514 8.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8197 7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0877 8.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3557 7.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0982 5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3557 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5537 6.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7518 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9498 6.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 7.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 6.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3032 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5083 5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7133 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9183 5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1233 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3284 5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5334 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7384 5.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3954 10.3947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7313 10.1393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7980 10.4061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8590 10.1601 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3736 11.0007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3069 10.7341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8729 10.9847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9124 9.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1519 10.3496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8518 10.6995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2460 10.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3791 11.3246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1877 10.4441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2544 10.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3153 10.4650 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8299 11.3056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7632 11.0390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3292 11.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3688 10.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6082 10.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8190 11.8524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7024 11.2849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8355 11.6295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 10.7567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0263 10.1585 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6734 9.2542 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7081 9.3555 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4724 9.9539 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0146 9.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4342 10.0036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1045 8.7935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 9.6682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8255 10.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0370 10.3594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1339 7.9250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2005 8.1919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2615 7.9459 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7761 8.7865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7094 8.5199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2754 8.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3150 7.7710 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 9.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6486 8.7658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7817 9.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1836 7.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5079 7.3338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7608 7.5661 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 59 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 85 86 1 0 0 0 0 85 87 2 0 0 0 0 70 74 1 0 0 0 0 M END > LMISSP0505DA01 > > GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C60H110N2O23 > 1226.75 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261572 > - > - > Active (generated by computational methods) > - $$$$