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CHEBI:177044 - Claussequinone

ChEBI IDCHEBI:177044
ChEBI NameClaussequinone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O5
Net Charge0
Average Mass286.283
Monoisotopic Mass286.08412
SMILESCOC1=CC(=O)C(C2COc3cc(O)ccc3C2)=CC1=O
InChIInChI=1S/C16H14O5/c1-20-16-7-13(18)12(6-14(16)19)10-4-9-2-3-11(17)5-15(9)21-8-10/h2-3,5-7,10,17H,4,8H2,1H3
InChIKeyPDAKXMIQFUHWQC-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Claussequinone (CHEBI:177044) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
2-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12080051LIPID MAPS
90428ChemSpider
Registry NumbersSources
CAS:35878-39-8ChemIDplus