Penipyrol A (CHEBI:227156)

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CHEBI:227156 - Penipyrol A

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ChEBI ID	CHEBI:227156
ChEBI Name	Penipyrol A
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H18O4
Net Charge	0
Average Mass	262.305
Monoisotopic Mass	262.12051
SMILES	CC[C@H](/C=C(C)/C=C/c1ccc(C)c(=O)o1)C(=O)O
InChI	InChI=1S/C15H18O4/c1-4-12(14(16)17)9-10(2)5-7-13-8-6-11(3)15(18)19-13/h5-9,12H,4H2,1-3H3,(H,16,17)/b7-5+,10-9+/t12-/m1/s1
InChIKey	VVFDSTJZTMWWEW-BBADGORWSA-N

Species of Metabolite	Component	Source	Comments
Penicillium solitum (ncbitaxon:60172)	-	PubMed (25370608)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Penipyrol A (CHEBI:227156) is a medium-chain fatty acid (CHEBI:59554)

IUPAC Name
(2R,3E,5E)-2-ethyl-4-methyl-6-(5-methyl-6-oxopyran-2-yl)hexa-3,5-dienoic acid

Manual Xrefs	Databases
44210754	ChemSpider