FL63AGNS0004
From Metabolomics.JP
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{{Metabolite | {{Metabolite | ||
| − | | | + | |SysName= (2R) -2,3-Dihydro-2alpha- (3,4,5-trihydroxyphenyl) -3beta- (galloyloxy) -4H-1-benzopyran-5,7-diol |
| − | |Common Name=&&Gallocatechin 3-O-gallate&& | + | |Common Name=&&Gallocatechin 3-O-gallate&& (2R) -2,3-Dihydro-2alpha- (3,4,5-trihydroxyphenyl) -3beta- (galloyloxy) -4H-1-benzopyran-5,7-diol&& |
|CAS=5127-64-0 | |CAS=5127-64-0 | ||
|KNApSAcK=C00008882 | |KNApSAcK=C00008882 | ||
}} | }} | ||
Latest revision as of 17:01, 18 December 2009
| トップ | 化合物検索 | 著者索引 | 雑誌索引 | 構造検索 | 食品情報 | 新規入力 |
Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol : FL63AG Gallocatechin and Epigallocatechin (23 pages) : FL63AGNS Simple substitution (17 pages)
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Gallocatechins refer to a subgroup of Flavan 3-ol derivatives (FL63AG). Compared to catechins, they have an additional phenolic hydroxyl group. Catechin gallates are gallic acid esters of the catechins, and (-)-Epigallocatechin gallate (EGCG) is the most abundant catechin in green tea but not in black tea. |
ガロカテキン類はFlavan 3-olの下にあるグループで、カテキン類のフェノール部に水酸基が1つ追加されたものです。カテキンガレートは、カテキンが没食子酸とエステル結合したもので、(-)-Epigallocatechin gallate (EGCG)は緑茶中に最も多いカテキンですが、紅茶には含まれません。(詳細) |
| Structure | 
|
|
|
|---|---|---|---|
| Name | (+)-Gallocatechin or D-Gallocatechin; GC |
(-)-Epigallocatechin or L-Epigallocatechin; EGC |
(-)-Gallocatechin or L-Gallocatechin |
| B-ring stereo | ↓ | ↓ | ↑ |
| 3-Hydroxyl stereo | ↑ | ↓ | ↓ |
| Gallate form | 
|
|
|
| (+)-Gallocatechin gallate or GCG | (-)-Epigallocatechin gallate or EGCG | (-)-Gallocatechin gallate | |
| B-ring stereo | ↓ | ↓ | ↑ |
| 3-Hydroxyl stereo | ↑ | ↓ | ↓ |
| Catechins | (+)-Catechin | (-)-Epicatechin | ent-Catechin |
| IDs and Links | |
|---|---|
| LipidBank | [1] |
| LipidMaps | [2] |
| CAS | 5127-64-0 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63AGNS0004.mol |
| Gallocatechin 3-O-gallate | |
|---|---|
|
| |
| Structural Information | |
| Systematic Name | (2R) -2,3-Dihydro-2alpha- (3,4,5-trihydroxyphenyl) -3beta- (galloyloxy) -4H-1-benzopyran-5,7-diol |
| Common Name |
|
| Symbol | |
| Formula | C22H18O11 |
| Exact Mass | 458.084911418 |
| Average Mass | 458.37172000000004 |
| SMILES | Oc(c(O)1)cc(C(=O)OC(C2)C(c(c4)cc(O)c(O)c(O)4)Oc(c3 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
Species Information
| Species-Flavonoid Relationship Reported | ||||||||||||||||||||||||||||||||||||||||||||||||||||
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