CHEBI:227163 - Penipyrol B

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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 Penipyrol B
ChEBI ID CHEBI:227163
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H18O4
Net Charge 0
Average Mass 286.327
Monoisotopic Mass 286.12051
InChI InChI=1S/C17H18O4/c1-5-13-9-14(8-11(3)16(13)20-12(4)18)15-7-6-10(2)17(19)21-15/h6-9H,5H2,1-4H3
InChIKey IUADVOOXUKGGCD-UHFFFAOYSA-N
SMILES O=C1OC(C2=CC(=C(OC(=O)C)C(=C2)C)CC)=CC=C1C
Metabolite of Species Details
Penicillium solitum (NCBI:txid60172) See: PubMed
ChEBI Ontology
Outgoing Penipyrol B (CHEBI:227163) is a benzoate ester (CHEBI:36054)
Penipyrol B (CHEBI:227163) is a phenols (CHEBI:33853)
IUPAC Name
[2-ethyl-6-methyl-4-(5-methyl-6-oxopyran-2-yl)phenyl] acetate
Manual Xref Database
44210755 ChemSpider
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