Penipyranicin C (CHEBI:225526)

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CHEBI:225526 - Penipyranicin C

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ChEBI ID	CHEBI:225526
ChEBI Name	Penipyranicin C
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H14O9
Net Charge	0
Average Mass	350.279
Monoisotopic Mass	350.06378
SMILES	COc1cc(O)c(C(=O)O)c(C2=COC(C(=O)O)=C[C@H]2C)c1C(=O)O
InChI	InChI=1S/C16H14O9/c1-6-3-10(14(18)19)25-5-7(6)11-12(15(20)21)8(17)4-9(24-2)13(11)16(22)23/h3-6,17H,1-2H3,(H,18,19)(H,20,21)(H,22,23)/t6-/m1/s1
InChIKey	AUUUYYZURLSCCX-ZCFIWIBFSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (33296194)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Penipyranicin C (CHEBI:225526) is a 2-hydroxyisophthalic acid (CHEBI:19643)

IUPAC Name
2-[(4R)-6-carboxy-4-methyl-4H-pyran-3-yl]-4-hydroxy-6-methoxybenzene-1,3-dicarboxylic acid