{ "iri" : "http://purl.obolibrary.org/obo/CHEBI_18346", "lang" : "en", "description" : [ "A member of the class of benzaldehydes carrying methoxy and hydroxy substituents at positions 3 and 4 respectively." ], "synonyms" : [ "4-hydroxy-3-methoxybenzaldehyde", "Vanillin", "vanillin", "3-methoxy-4-hydroxybenzaldehyde", "4-Hydroxy-3-methoxy-benzaldehyde", "4-Hydroxy-3-methoxybenzaldehyde", "4-formyl-2-methoxyphenol", "4-hydroxy-3-methoxybenzaldehyde", "4-hydroxy-m-anisaldehyde", "Vanillaldehyde", "methylprotocatechuic aldehyde", "p-hydroxy-m-methoxybenzaldehyde", "p-vanillin", "vaniline", "vanillaldehyde", "vanillic aldehyde" ], "annotation" : { "charge" : [ "0" ], "formula" : [ "C8H8O3" ], "has_RxCUI" : [ "1368176" ], "has_alternative_id" : [ "CHEBI:15302", "CHEBI:1842", "CHEBI:20380", "CHEBI:48387" ], "has_dbxref" : [ "Beilstein:472792", "CAS:121-33-5", "FooDB:FDB000838", "Gmelin:3596", "HMDB:HMDB0012308", "KEGG:C00755", "KEGG:D00091", "KNApSAcK:C00002683", "KNApSAcK:C00029531", "MetaCyc:VANILLIN", "PDBeChem:V55", "PMCID:PMC7790484", "PMCID:PMC8235570", "PMID:18479250", "PMID:19238838", "PMID:19812218", "PMID:21417387", "PMID:21542597", "PMID:21846089", "PMID:22308371", "PMID:29950589", "PMID:31661600", "PMID:33477040", "PMID:33938405", "PMID:34013088", "PMID:34035660", "UM-BBD_compID:c0193", "Wikipedia:Vanillin" ], "has_obo_namespace" : [ "chebi_ontology" ], "id" : [ "CHEBI:18346" ], "inchi" : [ "InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3" ], "inchikey" : [ "MWOOGOJBHIARFG-UHFFFAOYSA-N" ], "mass" : [ "152.149" ], "monoisotopicmass" : [ "152.04734" ], "smiles" : [ "[H]C(=O)C1=CC(OC)=C(O)C=C1" ] }, "label" : "vanillin", "ontology_name" : "dron", "ontology_prefix" : "DRON", "ontology_iri" : "http://purl.obolibrary.org/obo/dron.owl", "is_obsolete" : false, "term_replaced_by" : null, "is_defining_ontology" : false, "has_children" : false, "is_root" : false, "short_form" : "CHEBI_18346", "obo_id" : "CHEBI:18346", "in_subset" : [ "3_STAR" ], "obo_definition_citation" : null, "obo_xref" : [ { "database" : "Beilstein", "id" : "472792", "description" : "Beilstein", "url" : null }, { "database" : "CAS", "id" : "121-33-5", "description" : "NIST Chemistry WebBook", "url" : null }, { "database" : "CAS", "id" : "121-33-5", "description" : "ChemIDplus", "url" : null }, { "database" : "FooDB", "id" : "FDB000838", "description" : null, "url" : "http://foodb.ca/compounds/FDB000838" }, { "database" : "Gmelin", "id" : "3596", "description" : "Gmelin", "url" : null }, { "database" : "HMDB", "id" : "HMDB0012308", "description" : null, "url" : "http://www.hmdb.ca/metabolites/HMDB0012308" }, { "database" : "KEGG", "id" : "C00755", "description" : null, "url" : "http://www.kegg.jp/entry/C00755" }, { "database" : "KEGG", "id" : "D00091", "description" : null, "url" : "http://www.kegg.jp/entry/D00091" }, { "database" : "KNApSAcK", "id" : "C00002683", "description" : null, "url" : "http://www.knapsackfamily.com/knapsack_core/information.php?word=C00002683" }, { "database" : "KNApSAcK", "id" : "C00029531", "description" : null, "url" : "http://www.knapsackfamily.com/knapsack_core/information.php?word=C00029531" }, { "database" : "MetaCyc", "id" : "VANILLIN", "description" : null, "url" : "https://biocyc.org/META/NEW-IMAGE?type=NIL&object=VANILLIN" }, { "database" : "PDBeChem", "id" : "V55", "description" : null, "url" : "https://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/V55" }, { "database" : "PMCID", "id" : "PMC7790484", "description" : "Europe PMC", "url" : "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7790484" }, { "database" : "PMCID", "id" : "PMC8235570", "description" : "Europe PMC", "url" : "https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8235570" }, { "database" : "PMID", "id" : "18479250", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/18479250" }, { "database" : "PMID", "id" : "19238838", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/19238838" }, { "database" : "PMID", "id" : "19812218", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/19812218" }, { "database" : "PMID", "id" : "21417387", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/21417387" }, { "database" : "PMID", "id" : "21542597", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/21542597" }, { "database" : "PMID", "id" : "21846089", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/21846089" }, { "database" : "PMID", "id" : "22308371", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/22308371" }, { "database" : "PMID", "id" : "29950589", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/29950589" }, { "database" : "PMID", "id" : "31661600", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/31661600" }, { "database" : "PMID", "id" : "33477040", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/33477040" }, { "database" : "PMID", "id" : "33938405", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/33938405" }, { "database" : "PMID", "id" : "34013088", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/34013088" }, { "database" : "PMID", "id" : "34035660", "description" : "Europe PMC", "url" : "http://www.ncbi.nlm.nih.gov/pubmed/34035660" }, { "database" : "UM-BBD_compID", "id" : "c0193", "description" : "UM-BBD", "url" : null }, { "database" : "Wikipedia", "id" : "Vanillin", "description" : null, "url" : "http://en.wikipedia.org/wiki/Vanillin" } ], "obo_synonym" : [ { "name" : "4-hydroxy-3-methoxybenzaldehyde", "scope" : "hasExactSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "IUPAC", "description" : null, "url" : null } ] }, { "name" : "Vanillin", "scope" : "hasExactSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "vanillin", "scope" : "hasExactSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "UniProt", "description" : null, "url" : null } ] }, { "name" : "3-methoxy-4-hydroxybenzaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "UM-BBD", "description" : null, "url" : null } ] }, { "name" : "4-Hydroxy-3-methoxy-benzaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "4-Hydroxy-3-methoxybenzaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "4-formyl-2-methoxyphenol", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "4-hydroxy-3-methoxybenzaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "4-hydroxy-m-anisaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "Vanillaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "KEGG_COMPOUND", "description" : null, "url" : null } ] }, { "name" : "methylprotocatechuic aldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "p-hydroxy-m-methoxybenzaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "p-vanillin", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "NIST_Chemistry_WebBook", "description" : null, "url" : null } ] }, { "name" : "vaniline", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChEBI", "description" : null, "url" : null } ] }, { "name" : "vanillaldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] }, { "name" : "vanillic aldehyde", "scope" : "hasRelatedSynonym", "type" : null, "xrefs" : [ { "database" : null, "id" : "ChemIDplus", "description" : null, "url" : null } ] } ], "is_preferred_root" : false, "_links" : { "self" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346?lang=en" }, "parents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/parents" }, "ancestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/ancestors" }, "hierarchicalParents" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/hierarchicalParents" }, "hierarchicalAncestors" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/hierarchicalAncestors" }, "jstree" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/jstree" }, "graph" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/graph" }, "has_role" : { "href" : "https://www.ebi.ac.uk/ols4/api/ontologies/dron/terms/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FCHEBI_18346/http%253A%252F%252Fpurl.obolibrary.org%252Fobo%252FRO_0000087" } } }