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CHEBI:77992 - calycosin(1−)

ChEBI IDCHEBI:77992
ChEBI Namecalycosin(1−)
Stars
ASCII Namecalycosin(1-)
DefinitionA 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.).
Last Modified23 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H11O5
Net Charge-1
Average Mass283.259
Monoisotopic Mass283.06120
SMILESCOc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1O
InChIInChI=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
InChIKeyZZAJQOPSWWVMBI-UHFFFAOYSA-M
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
calycosin (CHEBI:17793) is conjugate acid of calycosin(1−) (CHEBI:77992)
IUPAC Name 
3-(3-hydroxy-4-methoxyphenyl)-4-oxo-4H-chromen-7-olate
UniProt Name  Source
calycosinUniProt