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CHEBI:169313 - Abruquinone C

ChEBI IDCHEBI:169313
ChEBI NameAbruquinone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O8
Net Charge0
Average Mass376.361
Monoisotopic Mass376.11582
SMILESCOC1=C(OC)C(=O)C(C2COc3c(cc(O)c(OC)c3OC)C2)=CC1=O
InChIInChI=1S/C19H20O8/c1-23-16-13(21)7-11(14(22)18(16)25-3)10-5-9-6-12(20)17(24-2)19(26-4)15(9)27-8-10/h6-7,10,20H,5,8H2,1-4H3
InChIKeyJUJPNIDLVJQYEY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Abruquinone C (CHEBI:169313) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-(6-hydroxy-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl)-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Manual XrefsDatabases
24843088ChemSpider
LMPK12080056LIPID MAPS