Accord 08271317182D 104108 0 0 0 0 0 0 0 0999 V2000 22.2795 7.2439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5529 7.6624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8261 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6995 6.5174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8594 6.5174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0065 7.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0982 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0982 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3717 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9485 8.3475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1480 8.3635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6396 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9072 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1748 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4423 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7100 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9775 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2451 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5127 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7803 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0478 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3154 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5830 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8505 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1182 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3857 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6533 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9209 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1885 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7237 6.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0934 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3609 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6285 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8961 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1636 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4313 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6988 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9664 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2340 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5016 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7691 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0367 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3043 7.6623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5718 7.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0117 9.9058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3468 9.6501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4125 9.9172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4724 9.6709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9864 10.5126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.9208 10.2456 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4863 10.4965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5270 9.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7644 9.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4640 10.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8610 10.4918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9931 10.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7992 9.9553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8648 10.2225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9247 9.9762 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4387 10.8178 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.3731 10.5508 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9386 10.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9793 9.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2168 10.1659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4278 11.3652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3133 10.7970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4454 11.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2450 9.2965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3107 9.5636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3706 9.3173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8846 10.1590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8190 9.8920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3845 10.1429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4252 9.1422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6626 9.5071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3622 9.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7592 10.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8913 10.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2937 8.9371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6183 8.7045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8704 8.9371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6909 8.6377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7565 8.9048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8164 8.6585 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3305 9.5001 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2649 9.2332 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8303 9.4841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8711 8.4834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1085 8.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3195 10.0476 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2051 9.4794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3372 9.8244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1368 7.9788 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2024 8.2460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2623 7.9997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7764 8.8413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7107 8.5743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2762 8.8252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3170 7.8246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.1894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7654 9.3887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6509 8.8205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7831 9.1656 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 75 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 65 69 1 0 0 0 0 83 84 1 1 0 0 0 85 84 1 1 0 0 0 86 85 1 1 0 0 0 86 87 1 0 0 0 0 87 88 1 0 0 0 0 87 92 1 0 0 0 0 83 92 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 86 91 1 0 0 0 0 88 93 1 0 0 0 0 76 83 1 0 0 0 0 94 95 1 1 0 0 0 96 95 1 1 0 0 0 97 96 1 1 0 0 0 97 98 1 0 0 0 0 98 99 1 0 0 0 0 98103 1 0 0 0 0 94103 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 97102 1 0 0 0 0 99104 1 0 0 0 0 90 94 1 0 0 0 0 M END > LMISSP0504AQ04 > > Galbeta1-3Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260743 > - > - > Active (generated by computational methods) > - $$$$