Myrigalone A (CHEBI:174873)

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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	Myrigalone A

ChEBI ID	CHEBI:174873

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H20O4

Net Charge

Average Mass

300.354

Monoisotopic Mass

300.13616

InChI

InChI=1S/C18H20O4/c1-11-15(20)14(17(22)18(2,3)16(11)21)13(19)10-9-12-7-5-4-6-8-12/h4-8,11,14H,9-10H2,1-3H3

InChIKey

CTSXBYQFSBUGKB-UHFFFAOYSA-N

SMILES

O=C1C(C(=O)C(C(=O)C1C(=O)CCC2=CC=CC=C2)C)(C)C

ChEBI Ontology
Outgoing	Myrigalone A (CHEBI:174873) is a monoterpenoid (CHEBI:25409)

IUPAC Name

2,2,4-trimethyl-6-(3-phenylpropanoyl)cyclohexane-1,3,5-trione