Apional (CHEBI:174212)

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ChEBI Ontology

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Apional

ChEBI ID	CHEBI:174212

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H12O5

Net Charge

Average Mass

236.223

Monoisotopic Mass

236.06847

InChI

InChI=1S/C12H12O5/c1-14-9-6-8(4-3-5-13)10(15-2)12-11(9)16-7-17-12/h3-6H,7H2,1-2H3/b4-3+

InChIKey

WTHYSOXPCHPBOG-ONEGZZNKSA-N

SMILES

O1C=2C(OC1)=C(OC)C=C(C2OC)/C=C/C=O

ChEBI Ontology
Outgoing	Apional (CHEBI:174212) is a benzodioxoles (CHEBI:38298)

IUPAC Name

(E)-3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal