Accord 08271317192D 112117 0 0 0 0 0 0 0 0999 V2000 19.0051 7.7927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2624 8.2203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5194 7.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4345 7.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5757 7.0499 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.7482 8.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7976 6.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7976 5.7518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0549 7.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6667 8.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8483 8.9371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3066 6.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5579 7.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8092 6.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0604 7.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3118 6.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7704 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0217 7.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2730 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5243 7.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7754 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0269 7.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2781 8.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5294 7.7927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3118 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5294 7.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7090 6.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8887 7.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0683 6.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2479 7.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4276 6.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4987 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6855 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8723 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0591 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2459 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4327 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6195 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8063 5.7170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7533 10.5126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0740 10.2513 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1193 10.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1587 10.2726 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.6622 11.1325 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6169 10.8598 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1730 11.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2363 10.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4354 10.4665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1285 10.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5776 11.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6908 11.4638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4492 10.5632 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4945 10.8362 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5339 10.5845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0374 11.4444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9921 11.1716 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5481 11.4280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6115 10.4056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8106 10.7784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0262 12.0037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9527 11.4232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0660 11.7757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8178 9.8900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8631 10.1630 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9025 9.9114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4060 10.7713 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3607 10.4985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9167 10.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9801 9.7324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1792 10.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8723 10.4632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3213 10.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4346 11.1026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8457 9.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1774 9.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4133 9.5229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1930 10.2019 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2383 10.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2777 10.2232 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7812 11.0831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7359 10.8103 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2919 11.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 10.0443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 10.4171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7700 11.6424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6965 11.0619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8098 11.4144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3867 12.4028 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7039 13.1237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7490 13.3960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.7593 14.3890 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4422 13.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1906 14.1148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5855 12.6935 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2251 13.9311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1431 14.3954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3971 13.3957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8133 14.1505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3631 12.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5276 12.2082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9908 12.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4637 14.1342 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7810 14.8551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8261 15.1274 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8364 16.1204 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5193 15.3996 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2676 15.8462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6626 14.4249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3022 15.6625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1115 16.6075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4742 15.1271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8904 15.8819 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 62 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 M END > LMSP0505EJ01 > > Galbeta1-4GlcNAcbeta1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C74H133N3O33 > 1591.88 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261804 > - > - > Active (generated by computational methods) > - $$$$