EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:186186 - Mucroquinone

ChEBI IDCHEBI:186186
ChEBI NameMucroquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCOC1=CC(=O)C([C@@H]2COc3c(ccc(O)c3OC)C2)=CC1=O
InChIInChI=1S/C17H16O6/c1-21-15-7-13(19)11(6-14(15)20)10-5-9-3-4-12(18)17(22-2)16(9)23-8-10/h3-4,6-7,10,18H,5,8H2,1-2H3/t10-/m0/s1
InChIKeyBCRMQBPKTAFKBY-JTQLQIEISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Mucroquinone (CHEBI:186186) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
2-[(3R)-7-hydroxy-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-methoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
LMPK12080053LIPID MAPS
24843087ChemSpider