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CHEBI:5679 - herniarin

ChEBI IDCHEBI:5679
ChEBI Nameherniarin
Stars
DefinitionA member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.
Last Modified17 February 2017
DownloadsMolfile
FormulaC10H8O3
Net Charge0
Average Mass176.171
Monoisotopic Mass176.04734
SMILESCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKeyLIIALPBMIOVAHH-UHFFFAOYSA-N
Roles Classification
Application:
fluorochrome  A fluorescent dye used to stain biological specimens.
ChEBI Ontology
Outgoing Relation(s)
herniarin (CHEBI:5679) has role fluorochrome (CHEBI:51217)
herniarin (CHEBI:5679) is a coumarins (CHEBI:23403)
IUPAC Name 
7-(methyloxy)-2H-chromen-2-one
Synonyms  Source
7-methoxy-2H-1-benzopyran-2-oneChemIDplus
7-MethoxycoumarinKEGG COMPOUND
7-MethoxycoumarinChemIDplus
AyapaninChemIDplus
HerniarineChemIDplus
MethylumbelliferoneChemIDplus
Manual XrefsDatabases
C00002476KNApSAcK
C09268KEGG COMPOUND
LSM-3820LINCS
Registry NumbersSources
Beilstein:141728Beilstein
CAS:531-59-9NIST Chemistry WebBook
CAS:531-59-9ChemIDplus