Accord 08271317182D 94 98 0 0 0 0 0 0 0 0999 V2000 17.8441 7.2560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1131 7.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3818 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2667 6.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4215 6.5250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5755 7.6783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6557 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6557 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9247 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5111 8.3663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7056 8.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1882 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4513 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7144 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9776 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2407 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5038 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7669 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0300 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2931 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5562 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3456 6.0929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6087 6.5153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6446 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9077 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1708 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4339 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6971 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9602 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2233 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4864 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7495 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0126 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2758 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5389 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8021 7.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0652 7.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5803 9.9326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9117 9.6755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.9721 9.9442 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0267 9.6965 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5380 10.5428 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4777 10.2743 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0407 10.5267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0873 9.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3148 9.8873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0127 10.2396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4231 10.5219 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5504 10.8689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3441 9.9824 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4045 10.2511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4591 10.0034 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9705 10.8497 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9101 10.5813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4731 10.8336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5197 9.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7473 10.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9595 11.4002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8556 10.8289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9828 11.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4452 12.1203 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5055 12.3889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5602 12.1412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0715 12.9876 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0111 12.7191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5741 12.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6207 11.9651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8483 12.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 13.5381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9566 12.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0838 13.3136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1032 12.6132 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3335 12.0109 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9782 11.1005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0063 11.2025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7758 11.8050 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3148 11.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7441 11.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4054 10.6367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 11.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1312 12.7154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3375 12.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5978 11.2373 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2663 10.7145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9387 9.9316 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0270 8.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3871 9.6138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4558 9.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 11.3497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3038 9.4465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5823 8.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7147 10.3967 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 3 26 2 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 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 60 63 1 0 0 0 0 74 75 1 1 0 0 0 76 75 1 1 0 0 0 77 76 1 1 0 0 0 77 78 1 0 0 0 0 78 79 1 0 0 0 0 78 83 1 0 0 0 0 74 83 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 77 82 1 0 0 0 0 79 84 1 0 0 0 0 85 86 1 1 0 0 0 86 87 1 1 0 0 0 88 87 1 1 0 0 0 88 89 1 0 0 0 0 89 90 1 0 0 0 0 89 94 1 0 0 0 0 86 91 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 85 94 1 0 0 0 0 80 85 1 0 0 0 0 74 70 1 0 0 0 0 M END > LMISSP0502AU01 > > Fucalpha1-2Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C64H117NO27 > 1331.78 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260324 > - > - > Active (generated by computational methods) > - $$$$