Accord 08271317182D 80 82 0 0 0 0 0 0 0 0999 V2000 20.3063 7.2725 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5693 7.6968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8321 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7323 6.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8803 6.5355 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.0436 7.6981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1082 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1082 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3712 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9705 8.3917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1585 8.4081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6288 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8859 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1431 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4002 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6573 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9144 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1716 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4287 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6858 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9429 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2001 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4572 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7143 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9714 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4857 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7428 6.0998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0889 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3461 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6032 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8603 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1174 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3746 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6317 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8888 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1459 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4031 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9173 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1745 7.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4316 7.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0488 9.9718 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3745 9.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.4270 9.9834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4736 9.7336 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9808 10.5871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9284 10.3164 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4877 10.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5432 9.5560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7557 9.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4511 10.2813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8818 10.5660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0017 10.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7768 10.0220 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8293 10.2929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8759 10.0432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3831 10.8966 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3307 10.6259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8900 10.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9455 9.8656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1580 10.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3720 11.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2841 10.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4040 11.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6978 11.1925 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7502 11.4634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7969 11.2136 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3041 12.0671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2516 11.7964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8110 12.0508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8664 11.0360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0790 11.4060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2930 12.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2051 12.0460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3250 12.3959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7330 10.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0622 10.5922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3038 10.8281 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 3 30 2 0 0 0 0 30 31 1 0 0 0 0 31 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 64 67 1 0 0 0 0 M END > LMSP0503AA03 > > GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C58H108N2O18 > 1120.76 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260486 > - > - > Active (generated by computational methods) > - $$$$