6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine (CHEBI:185822)

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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	6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine

ChEBI ID	CHEBI:185822

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16N4O4

Net Charge

Average Mass

328.328

Monoisotopic Mass

328.11716

InChI

InChI=1S/C16H16N4O4/c1-8-6-11-12(7-9(8)2)20(4-5-24-10(3)21)14-13(17-11)15(22)19-16(23)18-14/h6-7H,4-5H2,1-3H3,(H,19,22,23)

InChIKey

PVRDHKBVCDWVPD-UHFFFAOYSA-N

SMILES

O(CCN1C2=C(N=C3C1=NC(=O)NC3=O)C=C(C(=C2)C)C)C(=O)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine (CHEBI:185822) is a flavin (CHEBI:30527)

IUPAC Name

2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl acetate

Registry Number	Type	Source
6266-58-6	CAS Registry Number	ChemIDplus