CHEBI:187583 - Irisone A

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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 Irisone A
ChEBI ID CHEBI:187583
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C17H12O6
Net Charge 0
Average Mass 312.277
Monoisotopic Mass 312.06339
InChI InChI=1S/C17H12O6/c1-20-11-5-3-2-4-9(11)10-7-21-12-6-13-17(23-8-22-13)16(19)14(12)15(10)18/h2-7,19H,8H2,1H3
InChIKey DWGZUNVIWVMPBQ-UHFFFAOYSA-N
SMILES O1C=2C(=C(O)C=3OCOC3C2)C(=O)C(C=4C(OC)=CC=CC4)=C1
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 Irisone A (CHEBI:187583) is a isoflavones (CHEBI:38757)
IUPAC Name
9-hydroxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one
Manual Xrefs Databases
4590773 ChemSpider
LMPK12050367 LIPID MAPS
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Registry Number Type Source
2652-16-6 CAS Registry Number ChemIDplus