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CHEBI:77722 - apigenin 7-O-β-D-glucoside(1−)

ChEBI IDCHEBI:77722
ChEBI Nameapigenin 7-O-β-D-glucoside(1−)
Stars
ASCII Nameapigenin 7-O-beta-D-glucoside(1-)
DefinitionA flavonoid oxoanion that is the conjugate base of apigenin 7-O-β-D-glucoside, obtained by deprotonation of the 7-hydroxy group. Major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified19 June 2014
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H19O10
Net Charge-1
Average Mass431.373
Monoisotopic Mass431.09837
SMILESO=c1cc(-c2ccc(O)cc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c12
InChIInChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/p-1/t16-,18-,19+,20-,21-/m1/s1
InChIKeyKMOUJOKENFFTPU-QNDFHXLGSA-M
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
antibacterial agent  A substance (or active part thereof) that kills or slows the growth of bacteria.
Application:
non-steroidal anti-inflammatory drug  An anti-inflammatory drug that is not a steroid. In addition to anti-inflammatory actions, non-steroidal anti-inflammatory drugs have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins.
ChEBI Ontology
Outgoing Relation(s)
apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role antibacterial agent (CHEBI:33282)
apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role metabolite (CHEBI:25212)
apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) has role non-steroidal anti-inflammatory drug (CHEBI:35475)
apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) is a flavonoid oxoanion (CHEBI:60038)
apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722) is conjugate base of apigenin 7-O-β-D-glucoside (CHEBI:16778)
Incoming Relation(s)
apigenin 7-O-β-D-glucoside (CHEBI:16778) is conjugate acid of apigenin 7-O-β-D-glucoside(1−) (CHEBI:77722)
IUPAC Name 
7-(β-D-glucopyranosyloxy)-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-5-olate
UniProt Name  Source
apigenin 7-O-β-D-glucosideUniProt