Metabolites detail
information!
| TMDB ID | TMDB00100 |
| CAS RN | 89064-32-4 |
| Entry name | Theasinensin C; 3-O-(3,4,5-Trihydroxybenzoyl) |
| Synonym(s) | Theasinensin B, Theasinensin H |
| System Name | (2R,3R)-2-((R)-2',3',4,4',5,6-hexahydroxy-6'-((2R,3R)-3,5,7-trihydroxychroman-2-yl)-[1,1'-biphenyl]-2-yl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate |
| 2D structure |
|
| Formula | C37H30O18 |
| Molecular weight | 762.6233 |
| Compound classification | Condensed Tannins, Proanthocynidins, Flavonoids |
|
Sources
|
Green tea, Oolong tea |
| Latin name | Camellia sinensis |
| Chemists | Not Available |
| Initial amount | Not Available |
| Reported bioactivities | Not Available |
| References | Chem. Pharm. Bull. 1983, 31, 3906; 1988, 36, 1676 (isol, struct, pmr, cmr); Phytochemistry 2003, 64, 61-73 (rev) |
| Publication Year(s) | 1983. 1988. 2003 |
| 1H NMR data | 2.53,2.54,2.56,2.77,4.21,4.59,4.89,5.14,5.85,5.92,5.96,5.98,6.98,7.05,7.35 |
| 1H NMR spectrum | Not Available |
| 13C NMR data | 27.4,30.4,65.0,68.1,76.2,77.3,95.5,95.6,96.0,96.2,98.5,99.6,108.5,109.3,110.0,113.8,114.3,121.4,129.6,130.9,133.4,133.9,138.9,143.3,143.4,145.4,145.7,146.0,157.1,157.2,157.4,157.5,157.6,166.7 |
| 13C NMR spectrum | Not Available |
| MS data | Not Available |
| MS spectrum | Not Available |
| MS/MS data | Not Available |
| MS/MS spectrum | Not Available |
| Pathways | Flavonoid |
| KEGG map | map00941 |
| HMDB ID | HMDB38359 |
| PubChem ID | CID 5152866 |