EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:115544 - 3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one

ChEBI IDCHEBI:115544
ChEBI Name3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one
Stars
DownloadsMolfile
FormulaC20H17NO5
Net Charge0
Average Mass351.358
Monoisotopic Mass351.11067
SMILESO=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCCC2
InChIInChI=1S/C20H17NO5/c22-20-18-4-2-1-3-16(18)17-10-9-15(11-19(17)26-20)25-12-13-5-7-14(8-6-13)21(23)24/h5-11H,1-4,12H2
InChIKeyAGYDNJPPEFCTLE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[(4-nitrophenyl)methoxy]-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-6-one (CHEBI:115544) is a coumarins (CHEBI:23403)
Manual XrefsDatabases
LSM-27001LINCS