Accord 08271317182D 114119 0 0 0 0 0 0 0 0999 V2000 23.1163 7.2545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3858 7.6752 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.6551 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5385 6.5241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.6939 6.5241 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.8470 7.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9287 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9287 5.2475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1983 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7835 8.3639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9787 8.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4624 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7260 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9898 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2534 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5172 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7808 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0446 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3083 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5720 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8357 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0993 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3631 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6267 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8905 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1541 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4179 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6815 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9453 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2089 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4727 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7363 6.5143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 6.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9185 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1822 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4458 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7096 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9732 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2370 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5006 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7644 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0280 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2918 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5555 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8191 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0829 7.6751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3465 7.2545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8523 9.9305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1839 9.6734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.2446 9.9420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2995 9.6944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8110 10.5404 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7503 10.2721 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.3135 10.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3598 9.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5878 9.8851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2858 10.2373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6955 10.5196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8230 10.8664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6174 9.9802 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.6781 10.2488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7330 10.0012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.2445 10.8473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.1838 10.5789 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.7470 10.8311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7933 9.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0214 10.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2335 11.3976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1290 10.8264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2565 11.1732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7194 12.1174 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.7800 12.3860 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8349 12.1384 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3464 12.9844 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.2857 12.7161 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8489 12.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8952 11.9623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1233 12.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3354 13.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2309 12.9636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3584 13.3104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3006 12.4320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5312 11.8299 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1760 10.9198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2044 11.0218 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.9737 11.6240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5129 11.4189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 11.6740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6034 10.4561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 11.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3290 12.5342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5355 12.0322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7808 10.5590 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0113 9.9569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6561 9.0468 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6845 9.1488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4538 9.7510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9930 9.5459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4218 9.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0835 8.5831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2328 9.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8091 10.6612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0156 10.1592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2609 8.6859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4914 8.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1362 7.1738 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1646 7.2758 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9339 7.8780 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4731 7.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9019 7.9280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5636 6.7101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 7.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2892 8.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 8.2862 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 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 > LMISSP0502AN07 > > Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C78H141NO33 > 1619.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260274 > - > - > Active (generated by computational methods) > - $$$$