Mol:FL5FA9GS0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 41 45 0 0 0 0 0 0 0 0999 V2000 | + | 41 45 0 0 0 0 0 0 0 0999 V2000 |
− | -3.9520 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9520 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.9520 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9520 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3957 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3957 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8394 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8394 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.8394 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8394 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3957 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3957 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2831 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7268 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7268 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.7268 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7268 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2831 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.2831 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2831 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1707 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6037 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6037 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0367 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0367 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0367 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0367 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.6037 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6037 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.1707 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1707 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9962 0.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9962 0.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -4.5081 1.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.5081 1.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.3957 -0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3957 -0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0336 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0336 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.8536 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8536 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.4625 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4625 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.6618 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6618 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0336 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0336 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.2329 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2329 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0032 -0.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0032 -0.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.0336 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0336 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9155 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9155 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0827 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0827 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1736 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1736 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7860 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7860 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5315 -1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5315 -1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2814 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2814 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.6692 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6692 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9236 -1.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9236 -1.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4537 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4537 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.2306 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2306 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4686 -0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4686 -0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7936 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7936 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.5081 -2.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.5081 -2.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
− | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
− | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
− | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
− | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
− | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
− | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
− | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
− | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
− | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
− | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
− | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
− | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
− | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
− | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
− | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
− | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
− | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
− | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
− | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
− | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
− | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
− | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
− | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 31 1 0 0 0 0 | + | 36 31 1 0 0 0 0 |
− | 31 37 1 0 0 0 0 | + | 31 37 1 0 0 0 0 |
− | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
− | 35 39 1 0 0 0 0 | + | 35 39 1 0 0 0 0 |
− | 29 32 1 0 0 0 0 | + | 29 32 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | M STY 1 1 SUP | + | M STY 1 1 SUP |
− | M SLB 1 1 1 | + | M SLB 1 1 1 |
− | M SAL 1 2 40 41 | + | M SAL 1 2 40 41 |
− | M SBL 1 1 44 | + | M SBL 1 1 44 |
− | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
− | M SBV 1 44 -5.8694 8.5766 | + | M SBV 1 44 -5.8694 8.5766 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FA9GS0003 | + | ID FL5FA9GS0003 |
− | KNApSAcK_ID C00005124 | + | KNApSAcK_ID C00005124 |
− | NAME Galangin 3-galactosyl-(1->4)-rhamnoside | + | NAME Galangin 3-galactosyl-(1->4)-rhamnoside |
− | CAS_RN 73030-72-5 | + | CAS_RN 73030-72-5 |
− | FORMULA C27H30O14 | + | FORMULA C27H30O14 |
− | EXACTMASS 578.163555668 | + | EXACTMASS 578.163555668 |
− | AVERAGEMASS 578.5187000000001 | + | AVERAGEMASS 578.5187000000001 |
− | SMILES OC(C5O)C(O)C(OC5CO)OC(C(O)1)C(C)OC(OC(=C(c(c4)cccc4)3)C(=O)c(c(O)2)c(O3)cc(O)c2)C(O)1 | + | SMILES OC(C5O)C(O)C(OC5CO)OC(C(O)1)C(C)OC(OC(=C(c(c4)cccc4)3)C(=O)c(c(O)2)c(O3)cc(O)c2)C(O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 41 45 0 0 0 0 0 0 0 0999 V2000 -3.9520 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9520 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 1.5286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7268 1.2074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 1.5286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2831 -0.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 1.5284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0367 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 2.5105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 2.1831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 0.0972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5081 1.5284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3957 -0.3983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8536 -1.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 0.0157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2329 -0.3190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0032 -0.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0336 -1.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9155 -1.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 -1.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5315 -1.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2814 -2.1247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6692 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9236 -1.6662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4537 -1.6462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2306 -1.1346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4686 -0.7048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7936 -2.0980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5081 -2.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 18 8 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 22 21 1 1 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 1 0 0 0 26 21 1 1 0 0 0 26 27 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 25 18 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 1 0 0 0 33 34 1 1 0 0 0 35 34 1 1 0 0 0 35 36 1 0 0 0 0 36 31 1 0 0 0 0 31 37 1 0 0 0 0 36 38 1 0 0 0 0 35 39 1 0 0 0 0 29 32 1 0 0 0 0 34 40 1 0 0 0 0 40 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 40 41 M SBL 1 1 44 M SMT 1 CH2OH M SBV 1 44 -5.8694 8.5766 S SKP 8 ID FL5FA9GS0003 KNApSAcK_ID C00005124 NAME Galangin 3-galactosyl-(1->4)-rhamnoside CAS_RN 73030-72-5 FORMULA C27H30O14 EXACTMASS 578.163555668 AVERAGEMASS 578.5187000000001 SMILES OC(C5O)C(O)C(OC5CO)OC(C(O)1)C(C)OC(OC(=C(c(c4)cccc4)3)C(=O)c(c(O)2)c(O3)cc(O)c2)C(O)1 M END