Accord 08271317182D 111116 0 0 0 0 0 0 0 0999 V2000 23.3589 7.2781 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6199 7.7037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8805 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7861 6.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9316 6.5390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.0983 7.7049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1574 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1574 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4184 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0222 8.4005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2079 8.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.6739 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9289 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1839 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4389 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6940 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9490 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2040 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4591 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7141 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9691 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2241 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4792 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7342 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9892 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2443 6.1022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4993 6.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1352 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3903 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6453 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9003 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1554 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4104 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6654 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9205 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1755 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4305 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6855 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9406 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1957 7.7036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4507 7.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1032 9.9841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4272 9.7241 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4773 9.9957 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5216 9.7453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.0275 10.6009 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9774 10.3295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5357 10.5846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5938 9.5673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8019 9.9382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4964 10.2944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9333 10.5798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0510 10.9306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8205 10.0344 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8706 10.3060 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9148 10.0556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.4208 10.9112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.3707 10.6398 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.9290 10.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9871 9.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1951 10.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4097 11.4678 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3266 10.8901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4442 11.2409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8897 12.1957 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.9398 12.4673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9840 12.2169 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4900 13.0725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4399 12.8011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9982 13.0562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0563 12.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2643 12.4098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4789 13.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3958 13.0514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5134 13.4021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4324 12.5138 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6543 11.9049 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2951 10.9845 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3125 11.0877 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0905 11.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6245 11.4893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0694 11.7473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7160 10.5156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8557 11.4059 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4498 12.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6474 12.1095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8841 10.6196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1060 10.0108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7468 9.0904 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7642 9.1935 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5421 9.8026 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0762 9.5951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5211 9.8531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1677 8.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3074 9.5117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9015 10.7230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0990 10.2153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1798 7.7376 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2299 8.0092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2741 7.7588 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7801 8.6144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7300 8.3430 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2882 8.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3463 7.5808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.9517 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7689 9.0358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 8.5933 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8035 8.9441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 7.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5427 7.1358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7823 7.3723 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 62 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 72 76 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 83 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 M END > LMISSP0502AQ02 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C74H134N2O33 > 1578.89 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260293 > - > - > Active (generated by computational methods) > - $$$$