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CHEBI:167957 - Aegelinol

ChEBI IDCHEBI:167957
ChEBI NameAegelinol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCC1(C)Oc2cc3oc(=O)ccc3cc2CC1O
InChIInChI=1S/C14H14O4/c1-14(2)12(15)6-9-5-8-3-4-13(16)17-10(8)7-11(9)18-14/h3-5,7,12,15H,6H2,1-2H3
InChIKeyBGXFQDFSVDZUIW-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)
Aegelinol (CHEBI:167957) is a coumarins (CHEBI:23403)
IUPAC Name 
3-hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one
Manual XrefsDatabases
522219ChemSpider
HMDB0033914HMDB