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CHEBI:144055 - isorhamnetin(1−)

ChEBI IDCHEBI:144055
ChEBI Nameisorhamnetin(1−)
Stars
ASCII Nameisorhamnetin(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of isorhamnetin, arising from the deprotonation of the 7-hydroxy group; major species at pH 7.3.
Last Modified5 July 2019
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H11O7
Net Charge-1
Average Mass315.257
Monoisotopic Mass315.05103
SMILESCOc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O
InChIInChI=1S/C16H12O7/c1-22-11-4-7(2-3-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3/p-1
InChIKeyIZQSVPBOUDKVDZ-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
isorhamnetin(1−) (CHEBI:144055) is a flavonoid oxoanion (CHEBI:60038)
isorhamnetin(1−) (CHEBI:144055) is conjugate base of isorhamnetin (CHEBI:6052)
Incoming Relation(s)
isorhamnetin (CHEBI:6052) is conjugate acid of isorhamnetin(1−) (CHEBI:144055)
IUPAC Name 
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-chromen-7-olate
Synonym  Source
3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-olateIUPAC
UniProt Name  Source
isorhamnetinUniProt