Accord 08271317192D 90 93 0 0 0 0 0 0 0 0999 V2000 22.8817 7.6808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1716 8.0895 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4613 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2922 6.9706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4711 6.9706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5920 8.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7273 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7273 5.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0172 6.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5581 8.7591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7757 8.7748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3018 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5860 6.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8703 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1545 6.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 6.5509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7452 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0295 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3137 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5979 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8820 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1665 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4506 8.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7348 7.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4388 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7348 6.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9505 6.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1663 6.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3820 6.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5977 6.9779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8134 6.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6614 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8840 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1066 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3291 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5517 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7743 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9968 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2194 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4419 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6645 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5548 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7774 5.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6116 10.4288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9271 10.3008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0763 10.7231 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1290 10.6530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8110 11.5481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6618 11.1259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2887 11.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1118 10.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4822 10.9609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2555 11.3508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6093 11.1959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8362 11.6814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5711 11.2228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7202 11.6452 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7729 11.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4548 12.4701 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3058 12.0480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9326 12.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7557 11.2199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1260 11.8828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5413 12.9982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2531 12.1180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4800 12.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3576 12.1262 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5157 11.6862 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0157 10.8785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1046 11.1472 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.9463 11.5876 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4696 11.4727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8807 11.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3864 10.5361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7282 11.5278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4466 12.3951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5993 12.0549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2695 11.1304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5843 10.3679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9321 9.8629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5064 8.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3135 9.8584 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1029 9.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8230 10.9424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0085 9.2777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9655 10.3636 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 2 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 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 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 67 71 1 0 0 0 0 82 83 1 1 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 90 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 82 90 1 0 0 0 0 77 82 1 0 0 0 0 6 48 1 0 0 0 0 M END > LMISSP0506AA07 > > Fucalpha1-2Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C66H121NO21 > 1263.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261858 > - > - > Active (generated by computational methods) > - $$$$