get_kegg_info <- function(compound_formula) { compound_name <- met100$compound_name[met100$compound_formula == compound_formula] kegg_compound <- keggGet(compound_name, "cpd") kegg_id <- attr(kegg_compound, "kegg.code") pathway_ids <- keggLink("pathway", kegg_id)$Pathway pathway_info <- keggGet(pathway_ids) pathway_names <- lapply(pathway_info, function(x) x[[1]]$name) pathway_descriptions <- lapply(pathway_info, function(x) x[[1]]$definition) organisms <- keggGet(pathway_ids)$ORGANISM data.frame(compound_name = compound_name, pathway_id = pathway_ids, pathway_name = pathway_names, pathway_description = pathway_descriptions, organism = organisms, stringsAsFactors = FALSE)

get_kegg_info <- function(compound_formula) {
  compound_name <- met100$compound_name[met100$compound_formula == compound_formula]
  kegg_compound <- keggGet(compound_name, "cpd")
  kegg_id <- attr(kegg_compound, "kegg.code")
  pathway_ids <- keggLink("pathway", kegg_id)$Pathway
  pathway_info <- keggGet(pathway_ids)
  pathway_names <- lapply(pathway_info, function(x) x[[1]]$name)
  pathway_descriptions <- lapply(pathway_info, function(x) x[[1]]$definition)
  organisms <- keggGet(pathway_ids)$ORGANISM
  data.frame(compound_name = compound_name, pathway_id = pathway_ids, 
             pathway_name = pathway_names, pathway_description = pathway_descriptions, 
             organism = organisms, stringsAsFactors