CHEBI:187812 - Isounonal

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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 Isounonal
ChEBI ID CHEBI:187812
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C17H12O5
Net Charge 0
Average Mass 296.278
Monoisotopic Mass 296.06847
InChI InChI=1S/C17H12O5/c1-9-15(20)11(8-18)17-14(16(9)21)12(19)7-13(22-17)10-5-3-2-4-6-10/h2-8,20-21H,1H3
InChIKey TXZFBUWNWNHMCS-UHFFFAOYSA-N
SMILES O1C=2C(=C(O)C(=C(O)C2C=O)C)C(=O)C=C1C3=CC=CC=C3
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 Isounonal (CHEBI:187812) is a flavones (CHEBI:24043)
IUPAC Name
5,7-dihydroxy-6-methyl-4-oxo-2-phenylchromene-8-carbaldehyde
Manual Xrefs Databases
168345 ChemSpider
LMPK12110177 LIPID MAPS
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Registry Number Type Source
55743-12-9 CAS Registry Number ChemIDplus