EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:169665 - 3-[(1E)-buta-1,3-dien-1-yl]-5-hydroxy-1H-isochromen-1-one

ChEBI IDCHEBI:169665
ChEBI Name3-[(1E)-buta-1,3-dien-1-yl]-5-hydroxy-1H-isochromen-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10O3
Net Charge0
Average Mass214.220
Monoisotopic Mass214.06299
SMILESC=C/C=C/c1cc2c(O)cccc2c(=O)o1
InChIInChI=1S/C13H10O3/c1-2-3-5-9-8-11-10(13(15)16-9)6-4-7-12(11)14/h2-8,14H,1H2/b5-3+
InChIKeyIXAIVQBSDACJDQ-HWKANZROSA-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)
3-[(1E)-buta-1,3-dien-1-yl]-5-hydroxy-1H-isochromen-1-one (CHEBI:169665) is a isocoumarins (CHEBI:38758)
IUPAC Name 
3-[(1E)-buta-1,3-dienyl]-5-hydroxyisochromen-1-one
Manual XrefsDatabases
74852721ChemSpider
HMDB0130049HMDB