Secopenicillide C (CHEBI:203424)

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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	Secopenicillide C

ChEBI ID	CHEBI:203424

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H22O6

Net Charge

Average Mass

358.390

Monoisotopic Mass

358.14164

InChI

InChI=1S/C20H22O6/c1-11(2)4-5-13-6-7-16(17(18(13)23)20(24)25)26-19-14(10-21)8-12(3)9-15(19)22/h4-9,11,21-23H,10H2,1-3H3,(H,24,25)/b5-4+

InChIKey

FQHVDLXMHXCBHH-SNAWJCMRSA-N

SMILES

O=C(O)C1=C(O)C(=CC=C1OC2=C(O)C=C(C)C=C2CO)/C=C/C(C)C

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

ChEBI Ontology
Outgoing	Secopenicillide C (CHEBI:203424) is a aromatic ether (CHEBI:35618)

IUPAC Name

2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methylphenoxy]-3-[(E)-3-methylbut-1-enyl]benzoic acid