Accord 08271317182D 100104 0 0 0 0 0 0 0 0999 V2000 21.6283 7.2527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8985 7.6729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1685 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0502 6.5229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2064 6.5229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.3585 7.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4419 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4419 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7122 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2959 8.3610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4918 8.3772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9769 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2412 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5056 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7700 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0344 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2987 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5632 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8275 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0919 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3562 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6206 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8850 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1493 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4137 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6781 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9425 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7356 6.0916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4326 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6969 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9613 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2257 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4900 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7545 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0188 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2832 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5475 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8120 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0763 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3406 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6050 7.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8694 7.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3637 9.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6959 9.6694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7575 9.9377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8132 9.6903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3252 10.5356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2636 10.2675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8272 10.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8725 9.5144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1022 9.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8005 10.2327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2080 10.5148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3363 10.8613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1327 9.9759 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1943 10.2443 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2500 9.9969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.7620 10.8422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7004 10.5740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2640 10.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3093 9.8210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5390 10.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7510 11.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6448 10.8213 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7731 11.1678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2373 12.1111 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2988 12.3795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3546 12.1321 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8665 12.9774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8050 12.7092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3686 12.9612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4139 11.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6436 12.3227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8555 13.5272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7493 12.9565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8776 13.3030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0125 12.7684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2437 12.1669 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8889 11.2576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9182 11.3595 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6867 11.9612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2264 11.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6538 12.0112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3168 10.7944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4669 11.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0418 12.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 12.3690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5078 11.3943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1754 10.8720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8482 10.0900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9365 9.0472 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2974 9.7727 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3659 9.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0978 11.5064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2129 9.6057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4909 8.9690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6245 10.5547 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 29 30 1 0 0 0 0 30 31 1 0 0 0 0 3 32 2 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 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 91 92 1 1 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 91100 1 0 0 0 0 86 91 1 0 0 0 0 80 76 1 0 0 0 0 M END > LMSP0502AU04 > > Fucalpha1-2Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C70H129NO27 > 1415.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260327 > - > - > Active (generated by computational methods) > - $$$$