EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168347 - 9-hydroxy-8-(2-hydroxypropan-2-yl)-2H,8H,9H-furo[2,3-h]chromen-2-one

ChEBI IDCHEBI:168347
ChEBI Name9-hydroxy-8-(2-hydroxypropan-2-yl)-2H,8H,9H-furo[2,3-h]chromen-2-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H14O5
Net Charge0
Average Mass262.261
Monoisotopic Mass262.08412
SMILESCC(C)(O)C1Oc2ccc3ccc(=O)oc3c2C1O
InChIInChI=1S/C14H14O5/c1-14(2,17)13-11(16)10-8(18-13)5-3-7-4-6-9(15)19-12(7)10/h3-6,11,13,16-17H,1-2H3
InChIKeyDQISGWRLCDLKJI-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)
9-hydroxy-8-(2-hydroxypropan-2-yl)-2H,8H,9H-furo[2,3-h]chromen-2-one (CHEBI:168347) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
9-hydroxy-8-(2-hydroxypropan-2-yl)-8,9-dihydrouro[2,3-h]chromen-2-one
Manual XrefsDatabases
HMDB0128944HMDB
139866ChemSpider
Registry NumbersSources
CAS:86851-58-3ChemIDplus