CHEBI:40070 - 4-hydroxycoumarin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-hydroxycoumarin
ChEBI ID CHEBI:40070
Definition A hydroxycoumarin that is coumarin in which the hydrogen at position 4 is replaced by a hydroxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C9H6O3
Net Charge 0
Average Mass 162.14210
Monoisotopic Mass 162.03169
InChI InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey VXIXUWQIVKSKSA-UHFFFAOYSA-N
SMILES Oc1cc(=O)oc2ccccc12
ChEBI Ontology
Outgoing 4-hydroxycoumarin (CHEBI:40070) is a hydroxycoumarin (CHEBI:37912)
4-hydroxycoumarin (CHEBI:40070) is conjugate acid of 4-hydroxycoumarin(1−) (CHEBI:77858)
Incoming 4-hydroxycoumarin(1−) (CHEBI:77858) is conjugate base of 4-hydroxycoumarin (CHEBI:40070)
IUPAC Name
4-hydroxy-2H-chromen-2-one
Synonyms Sources
4-coumarinol ChemIDplus
4-hydroxy-2-chromenone ChemIDplus
4-hydroxy-2H-1-benzopyran-2-one ChEBI
4-hydroxy-2H-benzo[b]pyran-2-one ChEBI
4-HYDROXY-2H-CHROMEN-2-ONE PDBeChem
benzotetronic acid ChemIDplus
Manual Xrefs Databases
4HC PDBeChem
CPD-12111 MetaCyc
View more database links
Registry Numbers Types Sources
1076-38-6 CAS Registry Number ChemIDplus
129768 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
18007464 PubMed citation Europe PMC
19757094 PubMed citation Europe PMC
Last Modified
14 December 2018