CHEBI:5679 - herniarin

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ChEBI Name herniarin
ChEBI ID CHEBI:5679
Definition A member of the class of coumarins that is coumarin substituted by a methoxy group at position 7.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB0384584, ZINC000015020082
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Formula C10H8O3
Net Charge 0
Average Mass 176.169
Monoisotopic Mass 176.04734
InChI InChI=1S/C10H8O3/c1-12-8-4-2-7-3-5-10(11)13-9(7)6-8/h2-6H,1H3
InChIKey LIIALPBMIOVAHH-UHFFFAOYSA-N
SMILES C=1C=C(C=C2C1C=CC(=O)O2)OC
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
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ChEBI Ontology
Outgoing 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 Sources
7-methoxy-2H-1-benzopyran-2-one ChemIDplus
7-Methoxycoumarin ChemIDplus
7-Methoxycoumarin KEGG COMPOUND
Ayapanin ChemIDplus
Herniarine ChemIDplus
Methylumbelliferone ChemIDplus
Manual Xrefs Databases
C00002476 KNApSAcK
C09268 KEGG COMPOUND
LSM-3820 LINCS
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Registry Numbers Types Sources
141728 Beilstein Registry Number Beilstein
531-59-9 CAS Registry Number ChemIDplus
531-59-9 CAS Registry Number NIST Chemistry WebBook
Last Modified
17 February 2017