Accord 08271317182D 110115 0 0 0 0 0 0 0 0999 V2000 21.9304 7.2910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1867 7.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.4426 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3603 6.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5004 6.5473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.6745 7.7206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7213 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7213 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9776 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5916 8.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7721 8.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2283 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4786 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7289 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9791 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2294 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4797 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7300 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9803 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2306 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4809 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7312 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9814 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2317 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4820 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7323 6.1076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9826 6.5374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6926 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9429 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1932 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4435 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6938 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9440 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1943 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4446 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6949 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9452 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1955 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4458 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 7.7192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9465 7.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6794 10.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9992 9.7526 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0432 10.0259 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0814 9.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5842 10.6350 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5402 10.3618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0956 10.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1604 9.5948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3571 9.9681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0497 10.3265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5021 10.6137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6142 10.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3695 10.0649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4135 10.3382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4517 10.0862 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.9545 10.9473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9105 10.6741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4659 10.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5308 9.9070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7274 10.2803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9433 11.5073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8724 10.9260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9845 11.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2631 11.2457 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3071 11.5191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3453 11.2671 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8481 12.1281 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8041 11.8550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3595 12.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4243 11.0879 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6210 11.4612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8369 12.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7660 12.1069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8780 12.4599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2897 10.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6219 10.6401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8567 10.8781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 10.5717 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6708 10.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7090 10.5930 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2118 11.4541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1678 11.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7232 11.4376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7880 10.4139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9847 10.7871 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2006 12.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1297 11.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2418 11.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1475 10.8918 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3644 10.2791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0030 9.3528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0141 9.4566 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7970 10.0696 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3281 9.8608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7822 10.1204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4202 8.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.7769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1587 10.9958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3511 10.4849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2648 10.4139 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2738 9.5505 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4435 9.3137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6696 8.5803 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8406 9.5502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4388 9.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7293 10.0158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2899 8.7153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9600 8.0893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6709 9.7871 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 62 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 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 86 90 1 0 0 0 0 101102 1 1 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 101110 1 0 0 0 0 85101 1 0 0 0 0 M END > LMISSP0503AK02 > > Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C74H134N2O32 > 1562.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260565 > - > - > Active (generated by computational methods) > - $$$$