TCDB

Data sources!

Introduction to TMDB
TMDB is a detailed database on small molecule from tea plants and tea products. Each small molecule entry has extensive information on properties, structure, and biology. Field Documentation and Sources Data sources indicate the source of the information present in each field. Data sources do not indicate that all sources were used for a particular field and metabolite. Individual metabolite reference information can be found in the "General References" section of each metabolite.

Detailed entries:

Field	Description	Source
TMDB ID	Unique TMDB accession number consisting of a 4 letter prefix (TMDB) and a 5 number suffix. This ID is used to access the metabolite entry via the URL. If an entry is deleted, it's TMDB ID will not be reused	Automatic
CAS RN	CAS Registry number	Manual search PubChem Wikipedia KEGG PubMed HMDB
Entry Name Synonyms System Name	Standard name and alternate names of metabolite	Manual search PubChem Wikipedia KEGG PubMed HMDB
2D structure	two dimensional structure of tea metabolites	Manual Search PubChem KEGG ChemSpider SciFinder
Formula	Chemical formula describing atomic or elemental composition	Calculated from structure
Mol weight	Molecular weight in g/mol, determined from molecular formula or sequence	Calculated from structure
Compound classification
Sources	different types of tea, different parts of tea plant,tea infusions and also in vivo metabolites of tea	Adapted from literatures
Latin name	Latin name of the tea species	Adapted from literatures
Chemists	who supplied the compounds	Manual add
Initial amount	how much the chemists have this item	Manual add
Bioactivities	reported or tested bioactivities	Manual Search from lteratures DNP HMDB
References	literatures on the information of the compounds	Manual search DNP Scifinder HMDB KEGG
1H NMR data	searchable 1H NMR data which could be used in identification of the structures in tea	Manual search Adapted from literature Adapted from experimental data HMDB BMRB
1H NMR spectrum	Image of experimental or reported 1H NMR	Adapted from literature Adapted from experimental data HMDB BMRB
13C NMR data	searchable 13C NMR data which could be used in identification of the structures in tea	Adapted from literature Adapted from experimental data HMDB BMRB
13C NMR spectrum	Image of experimental or reported 13C NMR	Adapted from literature Adapted from experimental data HMDB BMRB
MS data	searchable mass data which could be used in identification of the structures in tea	Adapted from literature Adapted from experimental data
MS spectrum	Image of experimental or reported Mass spectrum	Adapted from literature Adapted from experimental data
MS/MS data	searchable mass/mass data which could be used in identification of the structures in tea	Adapted from literature Adapted from experimental data
MS/MS spectrum	Image of experimental or reported mass/mass data spectrum	Adapted from literature Adapted from experimental data
Pathway	Biosynthetic Pathways of the specific metabolites	Manual search KEGG
Map Cod	KEGG Compound ID	Manual search KEGG
Map url	link to KEGG map	Manual search KEGG
PubChem Compound ID	NCBI's PubChem database compound identification number	Manual search Pubchem HMDB
HMDB Compound ID	Human Metabolome Database ID	HMDB