Accord 08271317182D 127133 0 0 0 0 0 0 0 0999 V2000 24.3058 8.2693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6172 8.6658 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9285 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7039 7.5807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9077 7.5807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9947 8.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1864 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1864 6.3773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4978 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9921 9.3151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2334 9.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8041 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1100 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4159 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7219 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0278 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3336 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6396 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9455 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2514 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5574 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8632 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1692 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4751 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3929 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6987 7.5715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0046 7.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2341 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5399 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8459 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1518 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4577 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7637 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0695 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3755 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6814 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9873 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2932 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5991 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9051 8.6657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2109 8.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.7930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3697 10.5506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4839 10.8039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5926 10.5703 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.1319 11.3683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0177 11.1152 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.6058 11.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5925 10.4044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9214 10.7503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6366 11.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9090 11.3485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0863 11.6756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0063 10.8399 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1205 11.0932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2292 10.8597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7685 11.6576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.6543 11.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2424 11.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2291 10.6937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5580 11.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7581 12.1766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5457 11.6379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7229 11.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2733 12.8555 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.3874 13.1087 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4961 12.8752 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0355 13.6731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.9213 13.4200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.5094 13.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4961 12.7091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8250 13.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0251 14.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8126 13.6534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9898 13.9805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0492 13.1520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3236 12.5842 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9886 11.7259 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0724 11.8221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7978 12.3902 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3632 12.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7107 12.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4486 11.2887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6463 12.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1329 13.2485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3846 12.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6729 11.3857 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9472 10.8179 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6122 9.9596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6959 10.0558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4213 10.6238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9869 10.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3343 10.6709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0722 9.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2699 10.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7565 11.4820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0082 11.0087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2964 9.6193 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5707 9.0516 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2359 8.1933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3195 8.2895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0450 8.8574 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6105 8.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9579 8.9046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6958 7.7560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8936 8.5862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3801 9.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6318 9.2423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9200 7.8530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1943 7.2853 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8595 6.4270 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9431 6.5231 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6686 7.0911 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2340 6.8976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5814 7.1382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 5.9897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5172 6.8199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0038 7.9494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 7.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0046 6.5787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4242 6.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4242 5.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 5.2398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2717 5.5875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6541 5.2309 0.0000 C 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 2 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 3 30 2 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 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 64 67 1 0 0 0 0 78 79 1 1 0 0 0 80 79 1 1 0 0 0 81 80 1 1 0 0 0 81 82 1 0 0 0 0 82 83 1 0 0 0 0 82 87 1 0 0 0 0 78 87 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 83 88 1 0 0 0 0 74 78 1 0 0 0 0 89 90 1 1 0 0 0 91 90 1 1 0 0 0 92 91 1 1 0 0 0 92 93 1 0 0 0 0 93 94 1 0 0 0 0 93 98 1 0 0 0 0 89 98 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 94 99 1 0 0 0 0 85 89 1 0 0 0 0 100101 1 1 0 0 0 102101 1 1 0 0 0 103102 1 1 0 0 0 103104 1 0 0 0 0 104105 1 0 0 0 0 104109 1 0 0 0 0 100109 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 105110 1 0 0 0 0 96100 1 0 0 0 0 111112 1 1 0 0 0 113112 1 1 0 0 0 114113 1 1 0 0 0 114115 1 0 0 0 0 115116 1 0 0 0 0 115120 1 0 0 0 0 111120 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 116121 1 0 0 0 0 107111 1 0 0 0 0 29122 1 0 0 0 0 122123 1 0 0 0 0 123124 1 0 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 126127 1 0 0 0 0 M END > LMSP0502AW08 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C86H155NO38 > 1810.02 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260347 > - > - > Active (generated by computational methods) > - $$$$