FL63AGNS0017
From Metabolomics.JP
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Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol : FL63AG Gallocatechin and Epigallocatechin (23 pages) : FL63AGNS Simple substitution (17 pages)
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.
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| 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 | 3371-27-5 |
| KEGG | {{{KEGG}}} |
| KNApSAcK | |
| CDX file | |
| MOL file | FL63AGNS0017.mol |
| (-)-Gallocatechin | |
|---|---|
|
| |
| Structural Information | |
| Systematic Name | (2S)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol |
| Common Name |
|
| Symbol | |
| Formula | C15H14O7 |
| Exact Mass | 306.073952802 |
| Average Mass | 306.26746 |
| SMILES | Oc(c1)cc(O2)c(CC(O)C2c(c3)cc(O)c(O)c(O)3)c(O)1 |
| Physicochemical Information | |
| Melting Point | |
| Boiling Point | |
| Density | |
| Optical Rotation | |
| Reflactive Index | |
| Solubility | |
| Spectral Information | |
| Mass Spectra | |
| UV Spectra | |
| IR Spectra | |
| NMR Spectra | |
| Chromatograms | |
