Penicilactone B (CHEBI:209249)

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	Penicilactone B

ChEBI ID	CHEBI:209249

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H14O6

Net Charge

Average Mass

278.260

Monoisotopic Mass

278.07904

InChI

InChI=1S/C14H14O6/c1-8-3-9(15)5-10(4-8)19-12(17)7-14(2)6-11(16)13(18)20-14/h3-6,15-16H,7H2,1-2H3/t14-/m1/s1

InChIKey

PDFXYZAJMMZIAG-CQSZACIVSA-N

SMILES

O=C1O[C@](CC(=O)OC2=CC(O)=CC(=C2)C)(C)C=C1O

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

ChEBI Ontology
Outgoing	Penicilactone B (CHEBI:209249) is a benzoate ester (CHEBI:36054) Penicilactone B (CHEBI:209249) is a phenols (CHEBI:33853)

IUPAC Name

(3-hydroxy-5-methylphenyl) 2-[(2S)-4-hydroxy-2-methyl-5-oxouran-2-yl]acetate