Aspergillusether C (CHEBI:211056)

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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	Aspergillusether C

ChEBI ID	CHEBI:211056

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H21ClO6

Net Charge

Average Mass

392.830

Monoisotopic Mass

392.10267

InChI

InChI=1S/C20H21ClO6/c1-6-9(2)12-7-13(22)10(3)18(24)19(12)27-15-8-14(23)17(21)11(4)16(15)20(25)26-5/h6-8,22-24H,1-5H3/b9-6+

InChIKey

QUPZSFFZSBHXJU-RMKNXTFCSA-N

SMILES

ClC1=C(O)C=C(OC2=C(O)C(=C(O)C=C2/C(=C/C)/C)C)C(=C1C)C(=O)OC

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: DOI

ChEBI Ontology
Outgoing	Aspergillusether C (CHEBI:211056) is a aromatic ether (CHEBI:35618)

IUPAC Name

methyl 6-[6-[(E)-but-2-en-2-yl]-2,4-dihydroxy-3-methylphenoxy]-3-chloro-4-hydroxy-2-methylbenzoate