Blennione (CHEBI:227505)

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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	Blennione

ChEBI ID	CHEBI:227505

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C15H12N2O8

Net Charge

Average Mass

348.267

Monoisotopic Mass

348.05937

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

SMILES

O=C1C(=N)C(=C(O)C(=C1)C2=C(O)C(=C(N)C(=C2)OC)C(=O)O)C(=O)O

Metabolite of Species	Details
Lactarius blennius (NCBI:txid152933)	See: DOI

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	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