Accord 08271317192D 59 59 0 0 0 0 0 0 0 0999 V2000 22.1769 7.5849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4948 7.9775 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8125 7.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5712 6.9027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7825 6.9027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.8593 7.9787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0680 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0680 5.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3859 6.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8661 8.6207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1145 8.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6987 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0111 6.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3236 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6360 6.8936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9485 6.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1246 7.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4371 7.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7495 7.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0619 7.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3743 7.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6869 7.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9992 7.9774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3117 7.5849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9485 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3117 6.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5583 6.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8050 6.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0515 6.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2981 6.9097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5448 6.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2017 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4550 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7082 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9614 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2146 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4678 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7210 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9743 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2275 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4807 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7339 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2403 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4936 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7468 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8640 10.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2401 9.8427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3634 10.0934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4813 9.8623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.0253 10.6520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9020 10.4015 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4943 10.6369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4709 9.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8170 10.0403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0150 11.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7842 10.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9699 10.9562 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 M END > LMISSP0501AC05 > GalCer(d18:1/24:0) > Galbeta-Cer(d18:1/24:0) > C48H93NO8 > 811.69 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260152 > - > - > Active (generated by computational methods) > - $$$$