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CHEBI:169827 - Naphthoherniarin

ChEBI IDCHEBI:169827
ChEBI NameNaphthoherniarin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H16O6
Net Charge0
Average Mass376.364
Monoisotopic Mass376.09469
SMILESCOC1=CC(=O)c2cc(C)cc(-c3cc4ccc(=O)oc4cc3OC)c2C1=O
InChIInChI=1S/C22H16O6/c1-11-6-14(21-15(7-11)16(23)9-19(27-3)22(21)25)13-8-12-4-5-20(24)28-17(12)10-18(13)26-2/h4-10H,1-3H3
InChIKeyMSDIEAZOLJWCBV-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)
Naphthoherniarin (CHEBI:169827) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
2-methoxy-8-(7-methoxy-2-oxochromen-6-yl)-6-methylnaphthalene-1,4-dione
Manual XrefsDatabases
322622ChemSpider
HMDB0039025HMDB