Accord 08271317192D 64 65 0 0 0 0 0 0 0 0999 V2000 18.0059 7.6419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3072 8.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6082 7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4099 6.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6019 6.9431 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7049 8.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8700 6.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8700 5.7219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1712 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6876 8.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9176 8.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4673 6.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7629 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0586 6.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3543 6.9337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 6.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9036 8.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1993 7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4949 8.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7906 7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0861 8.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3820 7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6776 8.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9732 7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6500 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9732 6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2014 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4298 6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6580 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 6.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1145 6.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8850 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1200 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5900 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8250 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5300 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7650 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7097 10.2006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0707 9.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1726 10.2116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2689 9.9749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8018 10.7838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7000 10.5272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2823 10.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2827 9.8065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 10.1572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2997 10.4940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6037 10.7638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7695 11.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6607 10.2482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7626 10.5050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8589 10.2682 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3918 11.0772 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2900 10.8206 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8723 11.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8727 10.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1785 10.4506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3813 11.6034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1937 11.0572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3595 11.3888 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 M END > LMISSP0501AB04 > LacCer(d18:1/18:0) > N-(octadecanoyl)-1-b-lactosyl-sphing-4-enine > C48H91NO13 > 889.65 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Simple Glc series [SP0501] > - > > - > - > - > - > - > - > - > - > - > 44260141 > - > - > Active (generated by computational methods) > - $$$$