Mol:FL5FAACS0002
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
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− | -2.5346 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5346 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | -3.2056 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2056 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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− | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
− | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
− | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
− | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
− | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
− | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
− | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
− | 28 29 1 0 0 0 0 | + | 28 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 |
− | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
− | 25 13 1 0 0 0 0 | + | 25 13 1 0 0 0 0 |
− | S SKP 8 | + | S SKP 8 |
− | ID FL5FAACS0002 | + | ID FL5FAACS0002 |
− | KNApSAcK_ID C00014021 | + | KNApSAcK_ID C00014021 |
− | NAME 8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME 8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
− | CAS_RN 562068-65-9 | + | CAS_RN 562068-65-9 |
− | FORMULA C21H20O11 | + | FORMULA C21H20O11 |
− | EXACTMASS 448.100561482 | + | EXACTMASS 448.100561482 |
− | AVERAGEMASS 448.3769 | + | AVERAGEMASS 448.3769 |
− | SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O | + | SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 1.0770 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0770 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 -0.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5059 0.4875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7914 0.9000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -0.3602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1057 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3233 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -0.7727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5346 -1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -2.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2056 -0.3852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8201 -2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3912 -2.5822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2056 0.8915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9744 -1.9736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2769 2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 1.8244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4541 1.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4694 0.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8847 0.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2920 1.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7662 1.8841 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6218 2.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8680 2.7496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8615 2.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1167 1.1079 0.0000 O 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 17 1 0 0 0 0 16 18 1 0 0 0 0 11 19 2 0 0 0 0 5 20 1 0 0 0 0 12 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 13 1 0 0 0 0 S SKP 8 ID FL5FAACS0002 KNApSAcK_ID C00014021 NAME 8-C-beta-D-Glucopyranosylkaempferol;8-beta-D-Glucopyranosyl-3,5,7,4'-tetrahydroxyflavone;8-beta-D-Glucopyranosyl-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one CAS_RN 562068-65-9 FORMULA C21H20O11 EXACTMASS 448.100561482 AVERAGEMASS 448.3769 SMILES c(c4)(ccc(O)c4)C(O1)=C(C(c(c(O)2)c1c(C(C(O)3)OC(CO)C(O)C3O)c(O)c2)=O)O M END