CHEBI:70353 - Apiole

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Apiole
ChEBI ID CHEBI:70353
Definition A natural product found in Petroselinum sativum.
Stars This entity has been manually annotated by a third party.
Secondary ChEBI IDs CHEBI:2773
Supplier Information
Download Molfile XML SDF
Formulae C12H14O4
C12H14O4
Net Charge 0
Average Mass 222.23720
Monoisotopic Mass 222.08921
InChI InChI=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
InChIKey QQRSPHJOOXUALR-UHFFFAOYSA-N
SMILES COc1cc(CC=C)c(OC)c2OCOc12
Metabolite of Species Details
Petroselinum crispum (NCBI:txid4043) Found in seed (BTO:0001226). Essential oil of seeds See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Apiole (CHEBI:70353) has role metabolite (CHEBI:25212)
Apiole (CHEBI:70353) is a benzodioxoles (CHEBI:38298)
Synonyms Sources
1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)- ChEBI
5-Allyl-4,7-dimethoxy-1,3-benzodioxole ChEBI
Apiole KEGG COMPOUND
Benzene, 1-allyl-2,5-dimethoxy-3,4-(methylenedioxy)- ChEBI
Manual Xrefs Databases
83382-66-5 ChemIDplus
C00002714 KNApSAcK
C10429 KEGG COMPOUND
HMDB0033776 HMDB
View more database links
Registry Number Type Source
523-80-8 CAS Registry Number KEGG COMPOUND
Citation Waiting for Citations Type Source
21049975 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:acetal(CHEBI:59769);