Blennione (CHEBI:227505)

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CHEBI:227505 - Blennione

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ChEBI ID	CHEBI:227505
ChEBI Name	Blennione
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C15H12N2O8
Net Charge	0
Average Mass	348.267
Monoisotopic Mass	348.05937
SMILES	COc1cc(C2=CC(=O)C(=N)C(C(=O)O)=C2O)c(O)c(C(=O)O)c1N
InChI	InChI=1S/C15H12N2O8/c1-25-7-3-5(13(20)9(11(7)17)15(23)24)4-2-6(18)10(16)8(12(4)19)14(21)22/h2-3,16,19-20H,17H2,1H3,(H,21,22)(H,23,24)
InChIKey	RODAAKSNFWZQQX-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Lactarius blennius (ncbitaxon:152933)	-	DOI (10.1021/np0106541)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Blennione (CHEBI:227505) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
2-amino-5-(5-carboxy-6-hydroxy-4-imino-3-oxocyclohexa-1,5-dien-1-yl)-6-hydroxy-3-methoxybenzoic acid

Manual Xrefs	Databases
78435072	ChemSpider