Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 23.0911 7.2518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3616 7.6718 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6319 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5128 6.5224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6694 6.5224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8208 7.6730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9052 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9052 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1757 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7587 8.3596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9550 8.3758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4409 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7056 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9703 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2350 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4998 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7645 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0292 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2939 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5586 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8234 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0881 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3528 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6175 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8823 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1470 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4117 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6764 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9411 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2059 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4705 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7353 6.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8964 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1611 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4257 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6905 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9552 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2200 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4846 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7494 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0141 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2789 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5436 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8082 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0730 7.6717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3377 7.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8265 9.9253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1588 9.6685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2203 9.9368 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2762 9.6894 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7881 10.5347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7265 10.2666 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2901 10.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3354 9.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5652 9.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2635 10.2318 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6708 10.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7992 10.8603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5958 9.9750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6573 10.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7132 9.9960 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2251 10.8412 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1635 10.5731 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7271 10.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7724 9.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0022 10.1865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2141 11.3910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1078 10.8204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2362 11.1669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7005 12.1101 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7621 12.3784 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8179 12.1311 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3298 12.9763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2682 12.7082 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8319 12.9602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8771 11.9552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1069 12.3216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3188 13.5261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2125 12.9555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3409 13.3020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2851 12.4244 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5164 11.8229 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1616 10.9137 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1909 11.0156 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9594 11.6172 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4991 11.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9265 11.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5895 10.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7396 11.3299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3144 12.5265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5217 12.0250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7676 10.5532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9989 9.9517 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6441 9.0425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6734 9.1444 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4419 9.7460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9816 9.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4090 9.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0720 8.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2222 9.4587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7970 10.6553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 10.1538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2502 8.6820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4815 8.0805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1267 7.1713 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1560 7.2732 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9245 7.8749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4642 7.6699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 7.9248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5546 6.7081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7047 7.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2795 8.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4868 8.2826 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 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 93 94 1 1 0 0 0 95 94 1 1 0 0 0 96 95 1 1 0 0 0 96 97 1 0 0 0 0 97 98 1 0 0 0 0 97102 1 0 0 0 0 93102 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 96101 1 0 0 0 0 98103 1 0 0 0 0 89 93 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 100104 1 0 0 0 0 M END > LMISSP0502AN05 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C78H143NO33 > 1621.95 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260272 > - > - > Active (generated by computational methods) > - $$$$