EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168096 - 6-(3-hydroxybut-1-en-1-yl)-7-methoxy-2H-chromen-2-one

ChEBI IDCHEBI:168096
ChEBI Name6-(3-hydroxybut-1-en-1-yl)-7-methoxy-2H-chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCOc1cc2oc(=O)ccc2cc1/C=C/C(C)O
InChIInChI=1S/C14H14O4/c1-9(15)3-4-10-7-11-5-6-14(16)18-13(11)8-12(10)17-2/h3-9,15H,1-2H3/b4-3+
InChIKeyFLZYZXXCAJSPJG-ONEGZZNKSA-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)
6-(3-hydroxybut-1-en-1-yl)-7-methoxy-2H-chromen-2-one (CHEBI:168096) is a coumarins (CHEBI:23403)
IUPAC Name 
6-[(E)-3-hydroxybut-1-enyl]-7-methoxychromen-2-one
Manual XrefsDatabases
74852395ChemSpider