Isoacoramone (CHEBI:174154)

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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	Isoacoramone

ChEBI ID	CHEBI:174154

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O4

Net Charge

Average Mass

224.256

Monoisotopic Mass

224.10486

InChI

InChI=1S/C12H16O4/c1-5-9(13)8-6-11(15-3)12(16-4)7-10(8)14-2/h6-7H,5H2,1-4H3

InChIKey

KUQHFNICKXWOBZ-UHFFFAOYSA-N

SMILES

O(C=1C(=CC(OC)=C(OC)C1)C(=O)CC)C

ChEBI Ontology
Outgoing	Isoacoramone (CHEBI:174154) is a aromatic ketone (CHEBI:76224)

IUPAC Name

1-(2,4,5-trimethoxyphenyl)propan-1-one