CHEBI:185110 - Neoraunone

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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 Neoraunone
ChEBI ID CHEBI:185110
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H16O5
Net Charge 0
Average Mass 324.332
Monoisotopic Mass 324.09977
InChI InChI=1S/C19H16O5/c1-21-12-3-4-13(17(8-12)22-2)15-10-24-18-9-16-11(5-6-23-16)7-14(18)19(15)20/h3-9,15H,10H2,1-2H3
InChIKey GYRNIBZHZCUTTL-UHFFFAOYSA-N
SMILES O1CC(C(=O)C2=C1C=C3OC=CC3=C2)C4=C(OC)C=C(OC)C=C4
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 Neoraunone (CHEBI:185110) is a ether (CHEBI:25698)
Neoraunone (CHEBI:185110) is a flavonoids (CHEBI:72544)
IUPAC Name
6-(2,4-dimethoxyphenyl)-6,7-dihydrouro[3,2-g]chromen-5-one
Manual Xrefs Databases
24842907 ChemSpider
LMPK12050453 LIPID MAPS
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