Accord 08271317192D 84 86 0 0 0 0 0 0 0 0999 V2000 23.0197 7.6996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3041 8.1115 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5883 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4334 6.9839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6059 6.9839 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7355 8.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8563 6.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8563 5.7333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1408 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6936 8.7862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9052 8.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4199 6.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6986 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9773 6.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2560 6.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5348 6.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8667 8.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1454 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4241 8.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7028 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9814 8.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2603 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5389 8.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8176 7.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5348 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8176 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0272 6.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2370 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4466 6.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6562 6.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8660 6.5349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7514 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9679 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1845 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4011 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6177 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8342 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0508 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2674 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4840 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7005 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9171 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1337 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3503 5.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5668 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7834 5.6998 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 23.7404 10.3199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0860 10.0682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1663 10.3311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2409 10.0887 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7625 10.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6823 10.6543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2546 10.9013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2790 9.9163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5440 10.2755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2483 10.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6078 10.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7534 11.2363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5939 10.3686 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6741 10.6316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7487 10.3891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2704 11.2176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1901 10.9548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7624 11.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6862 11.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0519 10.5759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7562 10.9208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1156 11.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0887 11.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1017 10.6690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1820 10.9320 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2566 10.6896 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7783 11.5180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6980 11.2552 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2703 11.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2948 10.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5598 10.8764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2641 11.2212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6235 11.4976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7692 11.8372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1653 10.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4848 10.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7486 10.3153 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 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 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 68 71 1 0 0 0 0 M END > LMISSP0508AA07 > > GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C62H114N2O18 > 1174.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GlcNAcbeta1-4Manbeta1-4Glc- (Arthro series) [SP0508] > - > > - > - > - > - > - > - > - > - > - > 44261954 > - > - > Active (generated by computational methods) > - $$$$