Accord 08271317182D 101105 0 0 0 0 0 0 0 0999 V2000 18.5604 7.3121 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.8090 7.7449 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.0572 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9947 6.5607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1259 6.5607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3122 7.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3388 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3388 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5873 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2180 8.4534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3900 8.4700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8303 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0728 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3153 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5579 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8004 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0429 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2854 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5280 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7705 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0130 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2556 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4981 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 6.1165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 6.5508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2994 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5419 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7845 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0270 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2695 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5120 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7546 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9971 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2396 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4822 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7247 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9672 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2099 7.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4524 7.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3171 10.0635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6299 9.7992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6640 10.0754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.6922 9.8208 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1899 10.6907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1557 10.4148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7066 10.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7824 9.6398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9604 10.0169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6499 10.3790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1276 10.6693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2305 11.0259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9626 10.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9968 10.3909 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0250 10.1363 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5226 11.0062 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4885 10.7303 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0393 10.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1152 9.9553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2932 10.3324 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5113 11.5721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4604 10.9848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5632 11.3414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8240 11.3078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8582 11.5840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8864 11.3294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3840 12.1993 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3499 11.9234 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9008 12.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9766 11.1483 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1546 11.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3727 12.6278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3218 12.1779 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4247 12.5345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8406 10.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1762 10.6959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4031 10.9364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2887 9.4337 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3168 9.1797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6099 8.4659 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7346 8.9590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7065 9.2131 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1879 9.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6405 8.8650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8802 8.2622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4285 8.4158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4136 9.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4598 9.7772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6314 8.6134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0426 8.5772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2548 8.3906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7413 8.1515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0505 8.8808 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0844 9.1563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0949 10.1609 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7858 9.4317 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5312 9.8836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9307 8.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 9.6977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3732 10.6537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 9.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1612 9.9196 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 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 60 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 88 89 1 0 0 0 0 88 90 2 0 0 0 0 59 77 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 85 91 1 0 0 0 0 M END > LMISSP0503AO01 > > GalNAcbeta1-4(Galbeta1-4GlcNAcbeta1-3)Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C68H123N3O28 > 1429.83 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260596 > - > - > Active (generated by computational methods) > - $$$$