Accord 08271317192D 84 86 0 0 0 0 0 0 0 0999 V2000 22.9889 7.6954 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2746 8.1066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5600 7.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4019 6.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5759 6.9809 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7036 8.1078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8276 6.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8276 5.7325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1133 6.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6635 8.7802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8764 8.7960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3936 6.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6735 6.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9535 6.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2334 6.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5134 6.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8397 8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1196 7.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3995 8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6795 7.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9593 8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2394 7.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5192 8.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7992 7.6954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5134 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7992 6.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0101 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2212 6.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4322 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6432 6.9883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8543 6.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7313 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9492 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1671 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3851 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6030 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8209 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0388 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2567 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4746 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6925 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9104 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1284 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3463 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5642 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7821 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7085 10.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0552 10.0599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1370 10.3225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2132 10.0804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7356 10.9075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6538 10.6451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2268 10.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2496 9.9084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5175 10.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2223 10.6111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5777 10.8871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7249 11.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5690 10.3599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6508 10.6224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7270 10.3804 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2495 11.2074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1676 10.9451 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7407 11.1916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6629 11.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0313 10.5668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7361 10.9111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0916 11.1870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0664 11.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0828 10.6598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1646 10.9223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2408 10.6803 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7633 11.5073 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6815 11.2450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.2545 11.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2772 10.5082 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5452 10.8668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2500 11.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6054 11.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7525 11.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1479 10.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4670 10.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7320 10.3067 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 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 > LMISSP0508AA05 > > GlcNAcbeta1-4Manbeta1-4Glcbeta-Cer(d18:1/24:0) > C62H116N2O18 > 1176.82 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GlcNAcbeta1-4Manbeta1-4Glc- (Arthro series) [SP0508] > - > > - > - > - > - > - > - > - > - > - > 44261952 > - > - > Active (generated by computational methods) > - $$$$