Accord 08271317182D 103107 0 0 0 0 0 0 0 0999 V2000 23.0148 7.2434 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2884 7.6615 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.5618 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4347 6.5170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.5949 6.5170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.7415 7.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8339 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8339 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1075 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6838 8.3465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8835 8.3626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.3758 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6436 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9114 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1792 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4471 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7149 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9826 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2505 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5183 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7862 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0539 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3218 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5896 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8575 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1253 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3931 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6609 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9287 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1966 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4643 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7322 6.0876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8294 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0971 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3649 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6328 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9006 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1684 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4362 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7041 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9719 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2397 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5075 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7753 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0432 7.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3110 7.2434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7471 9.9056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0822 9.6498 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.1477 9.9170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2075 9.6707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.7215 10.5124 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6560 10.2454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2214 10.4963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2623 9.4956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4996 9.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1991 10.2108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5963 10.4916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7283 10.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5342 9.9551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.5997 10.2223 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6596 9.9760 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1736 10.8176 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1080 10.5506 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6735 10.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7143 9.8008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9516 10.1657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1626 11.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0483 10.7969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1803 11.1419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6511 12.0812 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7167 12.3484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7765 12.1020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2905 12.9437 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2249 12.6767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7904 12.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8312 11.9269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0685 12.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2795 13.4912 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1652 12.9230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2973 13.2680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2502 12.3941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.4847 11.7952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1314 10.8898 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1648 10.9912 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9300 11.5904 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4717 11.3863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8930 11.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5617 10.4285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7154 11.3043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2836 12.4958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 11.9964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7433 10.5308 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9779 9.9319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6245 9.0265 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6579 9.1279 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4232 9.7271 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9648 9.5230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3862 9.7768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0548 8.5652 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2086 9.4410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7767 10.6325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 10.1331 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 M END > LMISSP0502AM05 > > Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C72H133NO28 > 1459.90 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260264 > - > - > Active (generated by computational methods) > - $$$$