Mol:FL5FAAGA0029
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 47 0 0 0 0 0 0 0 0999 V2000 | + | 43 47 0 0 0 0 0 0 0 0999 V2000 |
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− | 0.7106 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7106 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 0.1713 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1713 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 0.2605 0.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2605 0.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.9429 0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9429 0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 1.6982 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6982 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 1.3323 -1.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3323 -1.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0422 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0422 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0422 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0422 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5983 -2.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 -2.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1544 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1544 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.1544 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1544 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.5983 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5983 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 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 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
− | 22 27 1 1 0 0 0 | + | 22 27 1 1 0 0 0 |
− | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
− | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
− | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
− | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
− | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
− | 30 32 1 0 0 0 0 | + | 30 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 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
− | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
− | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
− | 39 40 1 0 0 0 0 | + | 39 40 1 0 0 0 0 |
− | 40 35 2 0 0 0 0 | + | 40 35 2 0 0 0 0 |
− | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
− | 38 42 1 0 0 0 0 | + | 38 42 1 0 0 0 0 |
− | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGA0029 | + | ID FL5FAAGA0029 |
− | KNApSAcK_ID C00005841 | + | KNApSAcK_ID C00005841 |
− | NAME Kaempferol 3-(6''-galloylgalactoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(6''-galloylgalactoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one |
− | CAS_RN 56317-06-7 | + | CAS_RN 56317-06-7 |
− | FORMULA C28H24O15 | + | FORMULA C28H24O15 |
− | EXACTMASS 600.111520098 | + | EXACTMASS 600.111520098 |
− | AVERAGEMASS 600.48116 | + | AVERAGEMASS 600.48116 |
− | SMILES Oc(c1)c(c(O)cc1C(OCC(C(O)5)OC(C(O)C5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)2)c(cc(O)c2)O)=O)=O)O | + | SMILES Oc(c1)c(c(O)cc1C(OCC(C(O)5)OC(C(O)C5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)2)c(cc(O)c2)O)=O)=O)O |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 47 0 0 0 0 0 0 0 0999 V2000 -2.6264 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0554 1.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6264 1.9877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 1.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 0.6689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 0.9986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9133 1.6580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 1.9877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 1.6437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7733 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2028 2.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3676 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2203 2.8899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5797 1.8787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6264 0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4843 0.2894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3547 0.6761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2181 -0.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7573 0.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 0.4384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1713 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7754 0.4138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2605 0.8763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4659 0.7511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 0.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -0.8493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6982 -1.3615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3323 -1.5728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0422 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -2.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -2.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1544 -1.5601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -1.2391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5797 -1.3146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5742 -2.4446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 -2.9611 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 2 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 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 5 18 1 0 0 0 0 1 19 1 0 0 0 0 7 20 2 0 0 0 0 8 21 1 0 0 0 0 23 22 1 1 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 1 0 0 0 22 27 1 1 0 0 0 21 26 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 30 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 1 0 0 0 0 36 37 2 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 35 2 0 0 0 0 39 41 1 0 0 0 0 38 42 1 0 0 0 0 37 43 1 0 0 0 0 S SKP 8 ID FL5FAAGA0029 KNApSAcK_ID C00005841 NAME Kaempferol 3-(6''-galloylgalactoside);5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[[6-O-(3,4,5-trihydroxybenzoyl)-beta-D-galactopyranosyl]oxy]-4H-1-benzopyran-4-one CAS_RN 56317-06-7 FORMULA C28H24O15 EXACTMASS 600.111520098 AVERAGEMASS 600.48116 SMILES Oc(c1)c(c(O)cc1C(OCC(C(O)5)OC(C(O)C5O)OC(=C3c(c4)ccc(O)c4)C(c(c(O3)2)c(cc(O)c2)O)=O)=O)O M END