Mol:FL5FAAGS0114
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 48 49 2 0 0 0 0 | + | 48 49 2 0 0 0 0 |
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− | 50 51 2 0 0 0 0 | + | 50 51 2 0 0 0 0 |
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− | 50 55 1 0 0 0 0 | + | 50 55 1 0 0 0 0 |
− | 55 56 1 0 0 0 0 | + | 55 56 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAAGS0114 | + | ID FL5FAAGS0114 |
− | KNApSAcK_ID C00013781 | + | KNApSAcK_ID C00013781 |
− | NAME Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 352284-18-5 | + | CAS_RN 352284-18-5 |
− | FORMULA C37H38O19 | + | FORMULA C37H38O19 |
− | EXACTMASS 786.200729034 | + | EXACTMASS 786.200729034 |
− | AVERAGEMASS 786.68622 | + | AVERAGEMASS 786.68622 |
− | SMILES C(O1)(CO)C(OC(C(OC(=O)C=Cc(c6)ccc(O)c(OC)6)5)OC(C(C5O)O)CO)C(O)C(O)C1OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c32)cc(O)cc(O)2 | + | SMILES C(O1)(CO)C(OC(C(OC(=O)C=Cc(c6)ccc(O)c(OC)6)5)OC(C(C5O)O)CO)C(O)C(O)C1OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c32)cc(O)cc(O)2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 56 61 0 0 0 0 0 0 0 0999 V2000 0.6794 4.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6794 3.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 3.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1084 4.2697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3939 4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 3.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0350 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 3.4447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 3.0322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8929 2.2072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 1.7947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 1.0764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6074 3.4447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5713 1.8571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7091 4.6165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1785 1.0952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0041 -0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2049 -0.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9204 0.7559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1211 0.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2875 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 0.5411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3493 0.3918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9965 -0.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 -0.5091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5411 -0.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 -2.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3514 -2.5344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8670 -1.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1099 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 -1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3664 -1.9158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8948 -1.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 -1.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6126 -2.1954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1672 -2.9039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3342 -2.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8292 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1630 -3.3316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0829 -2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2771 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 -3.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 -2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3028 -3.3770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8676 -4.6822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6126 -4.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 7 2 0 0 0 0 9 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 10 1 0 0 0 0 14 18 1 0 0 0 0 11 17 2 0 0 0 0 12 19 1 0 0 0 0 5 20 1 0 0 0 0 16 21 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 22 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 24 32 1 0 0 0 0 25 19 1 0 0 0 0 33 34 1 1 0 0 0 34 35 1 1 0 0 0 36 35 1 1 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 33 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 35 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 44 46 1 0 0 0 0 46 47 2 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 50 51 2 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 53 48 1 0 0 0 0 51 54 1 0 0 0 0 36 30 1 0 0 0 0 50 55 1 0 0 0 0 55 56 1 0 0 0 0 S SKP 8 ID FL5FAAGS0114 KNApSAcK_ID C00013781 NAME Kaempferol 3-(2''-(E)-feruloylgalactosyl-(1->4)-glucoside);5,7-Dihydroxy-3-[[4-O-[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-galactopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 352284-18-5 FORMULA C37H38O19 EXACTMASS 786.200729034 AVERAGEMASS 786.68622 SMILES C(O1)(CO)C(OC(C(OC(=O)C=Cc(c6)ccc(O)c(OC)6)5)OC(C(C5O)O)CO)C(O)C(O)C1OC(C3=O)=C(c(c4)ccc(O)c4)Oc(c32)cc(O)cc(O)2 M END