Accord 08271317192D 106110 0 0 0 0 0 0 0 0999 V2000 23.2310 7.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5070 8.1450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7829 7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6495 7.0043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8124 7.0043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9552 8.1463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0540 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0540 5.7390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3301 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9011 8.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1034 8.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6007 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8710 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1412 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4114 6.9946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6818 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0528 8.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3230 7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5933 8.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8635 7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1336 8.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4041 7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6742 8.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9445 7.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6818 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9445 7.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1448 6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3453 7.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7460 7.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9465 6.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8892 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0965 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3039 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5113 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7187 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9261 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1335 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3409 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5483 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7557 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9631 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1704 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3778 5.7051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5852 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7926 5.7051 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 23.9602 10.3794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2981 10.1247 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3676 10.3908 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4313 10.1455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9474 10.9836 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8779 10.7177 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4452 10.9676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4816 9.9711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7263 10.3344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4271 10.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8142 10.9629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9499 11.3065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7650 10.4287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8345 10.6947 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8982 10.4494 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4143 11.2876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3448 11.0217 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9121 11.2716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9486 10.2750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1932 10.6384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4034 11.8328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2812 11.2669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4168 11.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3783 10.7403 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6161 10.1438 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2642 9.2422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3017 9.3433 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0637 9.9399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6073 9.7367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0227 9.9894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6969 8.7829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8542 9.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4158 10.8415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6297 10.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 7.9171 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7987 8.1831 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8624 7.9379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3785 8.7760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3090 8.5101 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8763 8.7600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9128 7.7635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1574 8.1268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8583 8.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2454 8.7553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3810 9.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7818 7.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1051 7.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3602 7.5592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1961 8.2210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2656 8.4871 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3294 8.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8454 9.0800 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7759 8.8141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3432 9.0640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3797 8.0674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6243 8.4308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8345 9.6251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7123 9.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8479 9.4029 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 67 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 90 96 1 0 0 0 0 M END > LMISSP0505DD07 > > Galbeta1-4GlcNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C74H134N2O28 > 1498.91 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261602 > - > - > Active (generated by computational methods) > - $$$$