Accord 08271317182D 92 95 0 0 0 0 0 0 0 0999 V2000 22.8406 7.2240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1213 7.6382 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4017 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2564 6.5047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.4247 6.5047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.5603 7.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6711 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6711 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9519 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5129 8.3165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7204 8.3324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.2271 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5020 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7769 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0518 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3267 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6016 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8766 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1514 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4264 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9761 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2510 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5259 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8009 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3507 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6255 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9005 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4503 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7251 6.4951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6763 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9512 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2260 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5010 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7759 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0508 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3257 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6006 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8755 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1504 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4253 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7001 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9751 7.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2500 7.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5655 9.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9073 9.6061 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.9822 9.8706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0515 9.6267 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.5704 10.4599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.4954 10.1956 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0653 10.4440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0956 9.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3507 9.8146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.0533 10.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4263 10.4394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5670 10.7809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3950 9.9082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.4700 10.1727 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5393 9.9289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0582 10.7621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.9832 10.4978 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.5531 10.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5834 9.7555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8385 10.1167 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0474 11.3040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9140 10.7415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0548 11.0831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5410 12.0129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.6160 12.2774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6853 12.0335 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2042 12.8667 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.1292 12.6024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6991 12.8508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7294 11.8602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9845 12.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1934 13.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0600 12.8462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2008 13.1877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0225 11.3606 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.0974 11.6251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1667 11.3813 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6856 12.2145 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6107 11.9502 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1805 12.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2108 11.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4659 11.5691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6748 12.7565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5415 12.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6822 12.5355 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 2 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 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 3 34 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 78 82 1 0 0 0 0 M END > LMISSP0502AO07 > > Galbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C66H121NO23 > 1295.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260282 > - > - > Active (generated by computational methods) > - $$$$