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CHEBI:70353 - Apiole

ChEBI IDCHEBI:70353
ChEBI NameApiole
Stars
DefinitionA natural product found in Petroselinum sativum.
Secondary ChEBI IDCHEBI:2773
Last Modified22 September 2014
DownloadsMolfile
FormulaC12H14O4
Net Charge0
Average Mass222.240
Monoisotopic Mass222.08921
SMILESC=CCc1cc(OC)c2c(c1OC)OCO2
InChIInChI=1S/C12H14O4/c1-4-5-8-6-9(13-2)11-12(10(8)14-3)16-7-15-11/h4,6H,1,5,7H2,2-3H3
InChIKeyQQRSPHJOOXUALR-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Petroselinum crispum (ncbitaxon:4043) seed (BTO:0001226) PubMed (21049975) Essential oil of seeds
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Apiole (CHEBI:70353) has role metabolite (CHEBI:25212)
Apiole (CHEBI:70353) is a benzodioxoles (CHEBI:38298)
Synonyms  Source
1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-ChEBI
5-Allyl-4,7-dimethoxy-1,3-benzodioxoleChEBI
ApioleKEGG COMPOUND
Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)-ChEBI
Manual XrefsDatabases
83382-66-5ChemIDplus
C00002714KNApSAcK
C10429KEGG COMPOUND
HMDB0033776HMDB
Registry NumbersSources
CAS:523-80-8KEGG COMPOUND
Citations