Accord 08271317192D 122128 0 0 0 0 0 0 0 0999 V2000 24.3201 7.5379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6452 7.9264 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9701 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9299 6.8629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2229 6.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2229 5.6833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5480 6.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0126 8.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2690 8.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8680 6.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1877 6.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5074 6.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8270 6.8538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1468 6.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2895 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6091 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9288 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2485 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5680 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8879 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2075 7.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5271 7.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1468 5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5271 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7817 6.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0363 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2908 6.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5453 6.8698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7999 6.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4078 5.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6689 5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9300 5.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1911 5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4521 5.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7132 5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9743 5.2251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2353 5.6517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3827 9.7719 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5152 10.0200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6424 9.7913 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1912 10.5727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0587 10.3248 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6553 10.5578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6216 9.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9851 9.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7062 10.2927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9316 10.5534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1258 10.8737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0889 10.0553 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2214 10.3034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3486 10.0747 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8974 10.8561 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7649 10.6082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3615 10.8412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3278 9.9121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6913 10.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8872 11.3643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6378 10.8368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8321 11.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7891 9.4437 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9216 9.6917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0488 9.4630 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5976 10.2444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4651 9.9965 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0617 10.2295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0280 9.3004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3915 9.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1126 9.9644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3381 10.2251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5323 10.5454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9059 9.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2073 8.8941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5129 9.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4953 9.7270 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6278 9.9751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7550 9.7464 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3038 10.5278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1713 10.2799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7679 10.5129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7342 9.5838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0977 9.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2937 11.0360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0443 10.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2385 10.8288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1956 9.1154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3281 9.3634 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4552 9.1347 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0040 9.9161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8716 9.6682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4681 9.9012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4344 8.9721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7980 9.3109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5191 9.6361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7445 9.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9387 10.2171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3123 8.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6137 8.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9193 8.7817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9018 9.3987 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0343 9.6468 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1614 9.4181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7102 10.1995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5778 9.9516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1743 10.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1406 9.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5042 9.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7001 10.7077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 10.1802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6449 10.5005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6318 9.5442 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.6400 8.7607 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8865 8.5458 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1842 7.8803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3394 8.7605 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9748 8.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0534 9.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7471 8.0028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4478 7.4347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0929 8.9755 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 84 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 113114 1 1 0 0 0 114115 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 113122 1 0 0 0 0 70113 1 0 0 0 0 M END > LMSP0505AV01 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O37 > 1737.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261140 > - > - > Active (generated by computational methods) > - $$$$