2-Chlorounguinol (CHEBI:206865)

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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	2-Chlorounguinol

ChEBI ID	CHEBI:206865

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H17ClO5

Net Charge

Average Mass

360.790

Monoisotopic Mass

360.07645

InChI

InChI=1S/C19H17ClO5/c1-5-8(2)11-6-12(21)9(3)17-18(11)24-14-7-13(22)16(20)10(4)15(14)19(23)25-17/h5-7,21-22H,1-4H3/b8-5-

InChIKey

KZPINWADEGOBQG-YVMONPNESA-N

SMILES

ClC1=C(O)C=C2OC=3C(/C(=C\C)/C)=CC(=C(C3OC(C2=C1C)=O)C)O

Metabolite of Species	Details
Aspergillus unguis (NCBI:txid40381)	See: DOI

ChEBI Ontology
Outgoing	2-Chlorounguinol (CHEBI:206865) is a carbonyl compound (CHEBI:36586)

IUPAC Name

1-[(Z)-but-2-en-2-yl]-8-chloro-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one