Orellanine (CHEBI:190273)

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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	Orellanine

ChEBI ID	CHEBI:190273

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H8N2O6

Net Charge

Average Mass

252.182

Monoisotopic Mass

252.03824

InChI

InChI=1S/C10H8N2O6/c13-5-1-3-11(17)7(9(5)15)8-10(16)6(14)2-4-12(8)18/h1-4,15-18H

InChIKey

JGRNMEQUBVRSQR-UHFFFAOYSA-N

SMILES

OC1=C(N(O)C=CC1=O)C=2N(O)C=CC(=O)C2O

Metabolite of Species	Details
Synechococcus elongatus PCC 7942 (NCBI:txid32046)	Found in cell culture (BTO:0000214). See: MetaboLights Study

ChEBI Ontology
Outgoing	Orellanine (CHEBI:190273) is a bipyridines (CHEBI:50511)

IUPAC Name

2-(1,3-dihydroxy-4-oxopyridin-2-yl)-1,3-dihydroxypyridin-4-one