Accord 08271317192D 104108 0 0 0 0 0 0 0 0999 V2000 21.7395 7.7423 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0115 8.1614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2832 7.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1604 7.0142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.3186 7.0142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.4678 8.1626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5559 6.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5559 5.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8279 7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4078 8.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6056 8.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.0944 6.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3605 7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6267 6.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8928 7.0044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1590 6.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5490 8.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8152 7.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0813 8.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3474 7.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6134 8.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8798 7.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1458 8.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4119 7.7423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1590 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4119 7.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8038 7.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9997 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1955 7.0216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3915 6.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3619 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5649 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7678 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9707 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1737 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3766 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5796 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7825 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3912 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5942 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7971 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4729 10.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8070 10.1522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8712 10.4198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9297 10.1731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4430 11.0160 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3788 10.7486 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9436 10.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9859 9.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2207 10.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9199 10.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3204 10.9952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4512 11.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2540 10.4579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3182 10.7254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3767 10.4788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8900 11.3216 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8258 11.0543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3906 11.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4329 10.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6677 10.6688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8790 11.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7674 11.3008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8982 11.6464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8482 10.7712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0816 10.1714 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7278 9.2648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7599 9.3664 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5262 9.9664 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0672 9.7620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4906 10.0161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1573 8.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3100 9.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8803 10.8731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0897 10.3729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3378 8.9053 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5714 8.3055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2175 7.3988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2496 7.5004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0159 8.1004 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5569 7.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9802 8.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5674 7.0370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7996 7.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3700 9.0071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5794 8.5070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7091 6.6830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7733 6.9506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8318 6.7039 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3451 7.5467 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2809 7.2794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8458 7.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8881 6.5285 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1228 6.8939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3342 7.9618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2225 7.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3533 7.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 6.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0815 6.0902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3324 6.3231 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 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 65 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 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 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 91100 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 96101 1 0 0 0 0 97102 1 0 0 0 0 102103 1 0 0 0 0 102104 2 0 0 0 0 87 91 1 0 0 0 0 M END > LMISSP0505DN04 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C72H132N2O28 > 1472.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261663 > - > - > Active (generated by computational methods) > - $$$$