Accord 08271317192D 120125 0 0 0 0 0 0 0 0999 V2000 24.3203 7.5396 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6456 7.9280 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9707 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9302 6.8648 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2234 6.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2234 5.6855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5486 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0129 8.5643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2694 8.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8689 6.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1887 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5086 6.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8284 6.8558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1484 6.4659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2902 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6101 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9299 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2498 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5695 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8896 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2093 7.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5292 7.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1484 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5292 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7839 6.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0387 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2934 6.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5481 6.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8030 6.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4096 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6709 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9322 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1935 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4547 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7160 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9773 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2385 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4998 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7611 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0224 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2836 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5449 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8062 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0674 5.6539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 5.2274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3829 9.7731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5156 10.0211 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6430 9.7924 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1920 10.5736 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0592 10.3258 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6559 10.5587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6219 9.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9859 9.9686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7071 10.2937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9319 10.5543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1264 10.8746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0900 10.0564 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2227 10.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3501 10.0757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8991 10.8569 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7663 10.6091 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3630 10.8420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3290 9.9132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6930 10.2519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8889 11.3650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6390 10.8376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8335 11.1579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7911 9.4449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9238 9.6929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0512 9.4642 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6002 10.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4674 9.9976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0641 10.2305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0302 9.3017 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3942 9.6404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1153 9.9655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3401 10.2261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5346 10.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9081 9.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2094 8.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5152 9.1113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4982 9.7282 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6309 9.9762 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7583 9.7475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3073 10.5287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1745 10.2809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7712 10.5138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7373 9.5850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1012 9.9237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2971 11.0368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0472 10.5094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2417 10.8297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1993 9.1167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3320 9.3646 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4594 9.1360 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0084 9.9172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8757 9.6694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4724 9.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4384 8.9735 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8024 9.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5235 9.6373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7484 9.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9428 10.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3163 8.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6176 8.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9234 8.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9064 9.4000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0391 9.6479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1665 9.4193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7155 10.2005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5828 9.9527 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1795 10.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1455 9.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 9.5954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7053 10.7086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4555 10.1812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6499 10.5015 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 77 82 1 0 0 0 0 82 83 1 0 0 0 0 82 84 2 0 0 0 0 67 71 1 0 0 0 0 85 86 1 1 0 0 0 87 86 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 85 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 90 95 1 0 0 0 0 79 85 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 102107 1 0 0 0 0 107108 1 0 0 0 0 107109 2 0 0 0 0 92 96 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 104110 1 0 0 0 0 M END > LMSP0505AL07 > > Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C82H147N3O33 > 1701.99 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261066 > - > - > Active (generated by computational methods) > - $$$$