Accord 08271317182D 84 86 0 0 0 0 0 0 0 0999 V2000 20.0885 8.9606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3611 9.3793 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6334 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5091 8.2331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6680 8.2331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.8163 9.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9059 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9059 6.9617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1785 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7571 10.0653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9556 10.0814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4457 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7124 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9792 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2459 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5127 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7794 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0461 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3129 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5796 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 8.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 7.8030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1226 6.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8566 6.5390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8660 5.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1348 5.2700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3996 5.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6684 5.2625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9330 5.6790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2019 5.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4665 5.6715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7355 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.6639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8999 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1667 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4333 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7001 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9668 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2337 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5003 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7671 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3007 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5673 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8340 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1009 9.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3675 8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8219 11.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1560 11.3703 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2203 11.6379 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2788 11.3912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.7921 12.2341 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.7279 11.9667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.2927 12.2180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3350 11.2159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5699 11.5812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2690 11.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6695 12.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8003 12.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6032 11.6760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6674 11.9436 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7260 11.6969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2393 12.5397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1750 12.2724 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7399 12.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7822 11.5215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0170 11.8869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2283 13.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1166 12.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2475 12.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0439 11.0162 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1081 11.2838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1667 11.0371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6800 11.8799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6157 11.6126 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1806 11.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2229 10.8617 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4577 11.2271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1569 11.5780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5573 11.8591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6882 12.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0911 10.6564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4163 10.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6673 10.6564 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 16 17 1 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 24 25 2 0 0 0 0 25 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 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 M END > LMSP0504AA07 > > GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C62H114N2O18 > 1174.81 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260618 > - > - > Active (generated by computational methods) > - $$$$