Mol:FL5FAGGS0029
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 45 49 0 0 0 0 0 0 0 0999 V2000 | + | 45 49 0 0 0 0 0 0 0 0999 V2000 |
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| − | 39 19 1 0 0 0 0 | + | 39 19 1 0 0 0 0 |
| − | 24 38 1 0 0 0 0 | + | 24 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAGGS0029 | + | ID FL5FAGGS0029 |
| − | KNApSAcK_ID C00013971 | + | KNApSAcK_ID C00013971 |
| − | NAME Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 334475-75-1 | + | CAS_RN 334475-75-1 |
| − | FORMULA C28H24O17 | + | FORMULA C28H24O17 |
| − | EXACTMASS 632.101349342 | + | EXACTMASS 632.101349342 |
| − | AVERAGEMASS 632.47996 | + | AVERAGEMASS 632.47996 |
| − | SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C(OC(C3=O)=C(c(c4)cc(c(c4O)O)O)Oc(c23)cc(cc2O)O)1)C(O)C(C(CO)O1)O | + | SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C(OC(C3=O)=C(c(c4)cc(c(c4O)O)O)Oc(c23)cc(cc2O)O)1)C(O)C(C(CO)O1)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/
45 49 0 0 0 0 0 0 0 0999 V2000
1.3240 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6096 2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6096 3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3240 3.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0385 3.1973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0385 2.3723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1049 1.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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2.7796 -2.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4202 -1.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6773 -3.3978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3953 -4.4348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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24 38 1 0 0 0 0
S SKP 8
ID FL5FAGGS0029
KNApSAcK_ID C00013971
NAME Myricetin 3-(2''-galloylglucoside);5,7-Dihydroxy-3-[[2-O-(3,4,5-trihydroxybenzoyl)-beta-D-glucopyranosyl]oxy]-2-(3,4,5-trihydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 334475-75-1
FORMULA C28H24O17
EXACTMASS 632.101349342
AVERAGEMASS 632.47996
SMILES O=C(c(c5)cc(O)c(O)c5O)OC(C(OC(C3=O)=C(c(c4)cc(c(c4O)O)O)Oc(c23)cc(cc2O)O)1)C(O)C(C(CO)O1)O
M END
