Accord 08271317192D 124130 0 0 0 0 0 0 0 0999 V2000 24.3202 7.5382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6453 7.9267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9702 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7104 6.8632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9300 6.8632 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 7.9278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2230 6.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2230 5.6837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5481 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0127 8.5631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2691 8.5780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8682 6.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1879 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5076 6.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8273 6.8542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1471 6.4643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2896 7.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6093 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9290 7.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2487 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5683 7.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8882 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2078 7.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5275 7.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1471 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5275 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 6.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0367 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2913 6.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5459 6.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8005 6.4398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4082 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6693 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9304 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1915 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4526 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7137 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9749 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2360 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4971 5.2255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7582 5.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3828 9.7722 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5153 10.0202 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6425 9.7915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1913 10.5729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0588 10.3250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6554 10.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6216 9.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9853 9.9677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7064 10.2929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9317 10.5536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1259 10.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0891 10.0555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.2217 10.3036 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3489 10.0749 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.8977 10.8562 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7652 10.6084 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3618 10.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3280 9.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6917 10.2511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8876 11.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6381 10.8370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8323 11.1573 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7895 9.4439 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9221 9.6919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0493 9.4633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5981 10.2446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4656 9.9968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0622 10.2297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0284 9.3007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3921 9.6394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1132 9.9647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3385 10.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5327 10.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9063 9.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2077 8.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5134 9.1103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4959 9.7273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6284 9.9753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7557 9.7466 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3045 10.5280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.1720 10.2801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7686 10.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7348 9.5841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0984 9.9228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2943 11.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0448 10.5087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2391 10.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1963 9.1156 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3288 9.3636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4561 9.1350 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0049 9.9163 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8724 9.6685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4690 9.9014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4352 8.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7988 9.3111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5199 9.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7452 9.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9395 10.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3131 8.7820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6145 8.5661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9201 8.7820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9027 9.3990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0352 9.6470 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1624 9.4183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7113 10.1997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5787 9.9518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1753 10.1848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1416 9.2558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5052 9.5945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7011 10.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 10.1804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6459 10.5007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 9.2162 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0473 8.4327 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2939 8.2178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5917 7.5524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7468 8.4325 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3822 8.0601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4607 8.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1545 7.6749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8552 7.1068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5002 8.6475 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 61 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 73 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 86 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 98104 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 97115 1 0 0 0 0 M END > LMISSP0505AS02 > > Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261117 > - > - > Active (generated by computational methods) > - $$$$