Penicillither (CHEBI:197652)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Penicillither

ChEBI ID	CHEBI:197652

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H17ClO8

Net Charge

Average Mass

396.780

Monoisotopic Mass

396.06120

InChI

InChI=1S/C18H17ClO8/c1-8-5-11(21)13(18(23)26-4)16(14(8)19)27-15-10(17(22)25-3)6-9(20)7-12(15)24-2/h5-7,20-21H,1-4H3

InChIKey

DLXJKSNQVHUUOT-UHFFFAOYSA-N

SMILES

ClC1=C(OC2=C(OC)C=C(O)C=C2C(=O)OC)C(=C(O)C=C1C)C(=O)OC

Metabolite of Species	Details
Penicillium (NCBI:txid5073)	See: DOI

ChEBI Ontology
Outgoing	Penicillither (CHEBI:197652) is a aromatic ether (CHEBI:35618)

IUPAC Name

methyl 3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate