Accord 08271317182D 99103 0 0 0 0 0 0 0 0999 V2000 18.8407 7.2623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.1074 7.6846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3738 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2646 6.5290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4168 6.5290 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.5743 7.6859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6486 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6486 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9153 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5066 8.3760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6986 8.3922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1765 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4373 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6981 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9590 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2198 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4806 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7414 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0022 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2630 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5238 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7847 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0455 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3063 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5671 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 6.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0887 6.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6343 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8951 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1559 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4168 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6776 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9384 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1992 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4600 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7208 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9817 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2425 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5033 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 7.6845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0250 7.2623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5792 9.9473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9085 9.6893 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9660 9.9588 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0176 9.7104 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5274 10.5593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4700 10.2900 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0317 10.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0815 9.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3035 9.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0005 10.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4184 10.5384 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5429 10.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3298 9.9972 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3873 10.2667 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4389 10.0182 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9487 10.8672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8913 10.5979 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4530 10.8510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5028 9.8416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7248 10.2096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9377 11.4194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8397 10.8463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9642 11.1943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7446 9.3326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8020 9.6021 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8537 9.3537 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3635 10.2026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3061 9.9333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8677 10.1864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9176 9.1770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1396 9.5451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8366 9.8985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2545 10.1817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3790 10.5297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7849 8.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1124 8.7355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3580 8.9701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1594 8.6680 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2168 8.9375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2685 8.6891 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7783 9.5380 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7209 9.2687 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2825 9.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3324 8.5124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 8.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7673 10.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6693 9.5171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7938 9.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3207 10.4144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5789 9.9965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9799 10.6014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9788 10.9216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8980 11.2346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3526 11.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1974 9.8240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3901 10.4500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6925 10.4376 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 10.6298 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 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 3 28 2 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 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 72 79 1 0 0 0 0 90 91 1 1 0 0 0 91 92 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 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 90 99 1 0 0 0 0 73 90 1 0 0 0 0 M END > LMSP0504AC02 > > Galbeta1-3(Fucalpha1-4)GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C68H124N2O27 > 1400.84 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-3GlcNAcbeta1-3Galbeta1-4Glc- (Lacto series) [SP0504] > - > > - > - > - > - > - > - > - > - > - > 44260629 > - > - > Active (generated by computational methods) > - $$$$