R/14_FOODB.R
request_foodb_compound.Rd
Request one specific the compound information in FoodB
request_foodb_compound(
url = "https://foodb.ca/compounds",
compound_id = "FDB000004",
return_form = c("list", "data.frame")
)
Default is "https://foodb.ca/compounds".
compound id. For example, FDB000004.
data.frame or list.
A data frame or list.
x = request_foodb_compound( compound_id = "FDB000004", return_form = "list")
x[1:2]
#> $version
#> [1] "1.0"
#>
#> $creation_date
#> [1] "2010-04-08 22:04:24 UTC"
#>
y = request_foodb_compound(compound_id = "FDB000004", return_form = "data.frame")
head(y)
#> version creation_date update_date accession
#> 1 1.0 2010-04-08 22:04:24 UTC 2020-02-24 19:10:06 UTC FDB000004
#> name
#> 1 Cyanidin 3-(6''-acetyl-galactoside)
#> description
#> 1 Constituent of the leaves of Nymphaea alba [CCD]. Cyanidin 3-(6''-acetyl-galactoside) is found in lowbush blueberry and highbush blueberry.
#> synonyms
#> 1 Cyanidin 3-(6-acetylgalactoside){}Cyanidin 3-O-(6''-acetyl-galactoside)
#> chemical_formula average_molecular_weight monisotopic_moleculate_weight
#> 1 C23H23O12 491.4215 491.119
#> iupac_name
#> 1 3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
#> traditional_iupac
#> 1 3-{[(2S,3R,4S,5R,6R)-6-[(acetyloxy)methyl]-3,4,5-trihydroxyoxan-2-yl]oxy}-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-1lambda4-chromen-1-ylium
#> cas_registry_number
#> 1 350602-26-5
#> smiles
#> 1 [H][C@]1(COC(C)=O)O[C@@]([H])(OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C(O)=C2)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O
#> inchi
#> 1 InChI=1S/C23H22O12/c1-9(24)32-8-18-19(29)20(30)21(31)23(35-18)34-17-7-12-14(27)5-11(25)6-16(12)33-22(17)10-2-3-13(26)15(28)4-10/h2-7,18-21,23,29-31H,8H2,1H3,(H3-,25,26,27,28)/p+1/t18-,19+,20+,21-,23-/m1/s1
#> inchikey state pathways hmdb_id pubchem_compound_id
#> 1 HBXXDBKJLPLXPR-DLBZZEGUSA-O NA NA HMDB29236 NA
#> chemspider_id kegg_id chebi_id biocyc_id het_id wikipidia vmh_id fbonto_id
#> 1 NA NA NA NA NA NA NA NA
#> foodb_id general_references foods flavors
#> 1 NA NA Highbush blueberry{}Lowbush blueberry NA
#> enzymes health_effects
#> 1 NA NA