CHEBI:77992 - calycosin(1−)

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ChEBI Name calycosin(1−)
ChEBI ID CHEBI:77992
ChEBI ASCII Name calycosin(1-)
Definition A flavonoid oxoanion obtained by deprotonation of the hydroxy group at position 7 of calycosin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C16H11O5
Net Charge -1
Average Mass 283.25610
Monoisotopic Mass 283.06120
InChI InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1H3/p-1
InChIKey ZZAJQOPSWWVMBI-UHFFFAOYSA-M
SMILES COc1ccc(cc1O)-c1coc2cc([O-])ccc2c1=O
Roles Classification
Chemical Role(s): antioxidant
A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing calycosin(1−) (CHEBI:77992) has role antioxidant (CHEBI:22586)
calycosin(1−) (CHEBI:77992) has role metabolite (CHEBI:25212)
calycosin(1−) (CHEBI:77992) is a flavonoid oxoanion (CHEBI:60038)
calycosin(1−) (CHEBI:77992) is conjugate base of calycosin (CHEBI:17793)
Incoming calycosin (CHEBI:17793) is conjugate acid of calycosin(1−) (CHEBI:77992)
IUPAC Name
3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Synonym Source
calycosin UniProt
Last Modified
23 June 2014