Accord 08271317192D 117122 0 0 0 0 0 0 0 0999 V2000 24.2792 7.6964 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5637 8.1083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8480 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6929 6.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8655 6.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9951 8.1095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1160 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1160 5.7303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4004 6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9532 8.7831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1648 8.7989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6796 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9583 6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2370 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5158 6.9713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7946 6.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1264 8.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4051 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6839 8.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9626 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2412 8.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5201 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7988 8.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0775 7.6964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7946 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0775 6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2872 6.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4969 6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7066 6.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9163 6.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1260 6.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0112 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2278 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4444 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6610 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8777 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0943 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3109 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5275 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7441 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9607 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1773 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3939 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6105 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8272 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0438 5.6967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2604 5.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3456 10.0649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4259 10.3279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5005 10.0855 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0222 10.9139 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9419 10.6511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5142 10.8981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5386 9.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8037 10.2722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5080 10.6171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8674 10.8934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0131 11.2330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8536 10.3654 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9339 10.6283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0085 10.3859 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.5302 11.2143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4499 10.9515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0222 11.1985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0467 10.2135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3117 10.5727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5194 11.7531 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3754 11.1939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5211 11.5335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5063 10.6733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7529 10.0839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.4052 9.1928 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4538 9.2926 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.2070 9.8823 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.7559 9.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1548 9.9312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8445 8.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0116 9.6007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5550 10.7734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7780 10.2819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8880 7.8830 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9683 8.1460 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0430 7.9035 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5646 8.7319 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4843 8.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0567 8.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0811 7.7312 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3462 8.0903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5539 9.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4098 8.7115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5555 9.0511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9516 7.5293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2712 7.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5350 7.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3897 7.2345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4700 7.4975 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5447 7.2551 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0663 8.0835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9860 7.8207 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5583 8.0677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5828 7.0827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8478 7.4418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0555 8.6223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9115 8.0630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 8.4026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0424 7.5425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2890 6.9530 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9413 6.0619 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9900 6.1618 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7431 6.7515 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2920 6.5506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6909 6.8004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3806 5.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5477 6.4699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 7.6426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3141 7.1511 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 2 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 67 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 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 103107 1 0 0 0 0 M END > LMISSP0505DJ07 > > Galalpha1-3Galbeta1-3GalNAcbeta1-3Galalpha1-3Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C80H144N2O33 > 1660.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261634 > - > - > Active (generated by computational methods) > - $$$$