Accord 08271317182D 113118 0 0 0 0 0 0 0 0999 V2000 24.2922 7.1672 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5896 7.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8868 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6983 6.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8860 6.4646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 7.5729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1500 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1500 5.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4474 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9721 8.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1980 8.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7396 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0313 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3232 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6150 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9067 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1985 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4904 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7821 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0739 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3656 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6575 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9493 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2410 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5328 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8247 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1164 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4082 6.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7001 6.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1782 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4701 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7619 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0536 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3454 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6373 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9290 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2208 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5125 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8044 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0962 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3879 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6798 7.5716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9716 7.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7405 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3572 9.4933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4539 9.7516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5450 9.5135 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0752 10.3271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9785 10.0690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5585 10.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5646 9.3442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8606 9.6969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5702 10.0356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8875 10.3071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0484 10.6406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9274 9.7884 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0241 10.0467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1152 9.8086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6454 10.6222 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5487 10.3641 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.1286 10.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1348 9.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4308 9.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6348 11.1515 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4577 10.6021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6186 10.9357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1403 11.8437 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.2370 12.1020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3281 11.8638 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8583 12.6775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7616 12.4194 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3416 12.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3478 11.6946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6437 12.0473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8477 13.2067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6706 12.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8316 12.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7043 11.2067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8009 11.4650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8921 11.2269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4222 12.0406 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.3256 11.7825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9055 12.0250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9117 11.0576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2077 11.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4117 12.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2346 12.0205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3955 12.3540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7845 10.8593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0984 10.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3753 10.8593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2682 10.5698 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3649 10.8281 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4560 10.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9862 11.4036 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8895 11.1455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4695 11.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4756 10.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7716 10.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9756 11.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7985 11.3835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9594 11.7171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9805 10.8723 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2405 10.2933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8990 9.4181 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9646 9.5161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7043 10.0953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2612 9.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6353 10.1434 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3483 8.9722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5302 9.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0461 10.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2830 10.4878 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 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 89 90 1 0 0 0 0 89 91 2 0 0 0 0 74 78 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 85 92 1 0 0 0 0 103104 1 1 0 0 0 105104 1 1 0 0 0 106105 1 1 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 107112 1 0 0 0 0 103112 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 108113 1 0 0 0 0 99103 1 0 0 0 0 M END > LMISSP0502BF03 > > Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C76H138N2O33 > 1606.92 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260414 > - > - > Active (generated by computational methods) > - $$$$