Mol:FL5FAAGL0071
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 46 50 0 0 0 0 0 0 0 0999 V2000 | + | 46 50 0 0 0 0 0 0 0 0999 V2000 |
− | -3.2010 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2010 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.2010 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2010 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6447 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6447 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0884 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0884 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.0884 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0884 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6447 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6447 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5321 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5321 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9758 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9758 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.9758 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9758 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5321 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5321 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -1.5321 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5321 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4197 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4197 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1472 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1472 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7142 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7142 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7142 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7142 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1472 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1472 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.4197 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4197 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.3277 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3277 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.7177 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7177 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3301 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3301 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.0755 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0755 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.8255 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8255 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.2132 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2132 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.4677 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4677 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.0094 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0094 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.7365 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7365 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.6995 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6995 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.2810 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2810 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -2.6447 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6447 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -3.8120 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8120 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.4544 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4544 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.8000 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8000 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.7596 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7596 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.4247 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4247 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1408 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1408 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.1408 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1408 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5093 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5093 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9457 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9457 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3822 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3822 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.3822 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3822 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.9457 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9457 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.5093 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5093 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | -0.1811 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1811 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1927 1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1927 1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.8120 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8120 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1927 2.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1927 2.1566 0.0000 C 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 |
− | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
− | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
− | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
− | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
− | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
− | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
− | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
− | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
− | 20 18 1 0 0 0 0 | + | 20 18 1 0 0 0 0 |
− | 18 8 1 0 0 0 0 | + | 18 8 1 0 0 0 0 |
− | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
− | 15 28 1 0 0 0 0 | + | 15 28 1 0 0 0 0 |
− | 3 29 1 0 0 0 0 | + | 3 29 1 0 0 0 0 |
− | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
− | 22 31 1 0 0 0 0 | + | 22 31 1 0 0 0 0 |
− | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
− | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
− | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
− | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
− | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
− | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
− | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
− | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
− | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
− | 27 44 1 0 0 0 0 | + | 27 44 1 0 0 0 0 |
− | 44 45 2 0 0 0 0 | + | 44 45 2 0 0 0 0 |
− | 44 46 1 0 0 0 0 | + | 44 46 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGL0071 | + | ID FL5FAAGL0071 |
− | KNApSAcK_ID C00005853 | + | KNApSAcK_ID C00005853 |
− | NAME Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside) | + | NAME Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside) |
− | CAS_RN 115651-95-1 | + | CAS_RN 115651-95-1 |
− | FORMULA C32H28O14 | + | FORMULA C32H28O14 |
− | EXACTMASS 636.147905604 | + | EXACTMASS 636.147905604 |
− | AVERAGEMASS 636.55632 | + | AVERAGEMASS 636.55632 |
− | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(OC(C)=O)C4COC(=O)C=Cc(c5)ccc(O)c5)O)3)Oc(c(C3=O)2)cc(cc(O)2)O)c1 | + | SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(OC(C)=O)C4COC(=O)C=Cc(c5)ccc(O)c5)O)3)Oc(c(C3=O)2)cc(cc(O)2)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 46 50 0 0 0 0 0 0 0 0999 V2000 -3.2010 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2010 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0884 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 2.2684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 0.9837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 1.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9758 1.9473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 2.2684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5321 0.4829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 1.9410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 2.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7142 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4197 2.9230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3277 0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7177 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3301 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0755 0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8255 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2132 1.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4677 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 1.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7365 1.4986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6995 1.1157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2810 3.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 0.3416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8120 2.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4544 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8000 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 -0.7959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4247 -0.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -1.2496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1408 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 -1.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 -2.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9457 -3.2504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5093 -2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 -3.2502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 1.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8120 1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 2.1566 0.0000 C 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 19 20 1 0 0 0 0 20 21 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 19 25 1 0 0 0 0 24 26 1 0 0 0 0 23 27 1 0 0 0 0 20 18 1 0 0 0 0 18 8 1 0 0 0 0 22 21 1 1 0 0 0 15 28 1 0 0 0 0 3 29 1 0 0 0 0 1 30 1 0 0 0 0 22 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 2 0 0 0 0 36 37 1 0 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 40 43 1 0 0 0 0 27 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 S SKP 8 ID FL5FAAGL0071 KNApSAcK_ID C00005853 NAME Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside) CAS_RN 115651-95-1 FORMULA C32H28O14 EXACTMASS 636.147905604 AVERAGEMASS 636.55632 SMILES c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(OC(C)=O)C4COC(=O)C=Cc(c5)ccc(O)c5)O)3)Oc(c(C3=O)2)cc(cc(O)2)O)c1 M END