CHEBI:77791 - luteolin 7-O-β-D-glucoside(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name luteolin 7-O-β-D-glucoside(1−)
ChEBI ID CHEBI:77791
ChEBI ASCII Name luteolin 7-O-beta-D-glucoside(1-)
Definition A flavonoid oxoanion obtained by deprotonation of the 5-hydroxy group of luteolin 7-O-β-D-glucoside. 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 C21H19O11
Net Charge -1
Average Mass 447.36950
Monoisotopic Mass 447.09329
InChI InChI=1S/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2/p-1/t16-,18-,19+,20-,21-/m1/s1
InChIKey PEFNSGRTCBGNAN-QNDFHXLGSA-M
SMILES OC[C@H]1O[C@@H](Oc2cc([O-])c3c(c2)oc(cc3=O)-c2ccc(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O
ChEBI Ontology
Outgoing luteolin 7-O-β-D-glucoside(1−) (CHEBI:77791) is a flavonoid oxoanion (CHEBI:60038)
luteolin 7-O-β-D-glucoside(1−) (CHEBI:77791) is conjugate base of luteolin 7-O-β-D-glucoside (CHEBI:27994)
Incoming luteolin 7-O-β-D-glucoside (CHEBI:27994) is conjugate acid of luteolin 7-O-β-D-glucoside(1−) (CHEBI:77791)
IUPAC Name
2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranosyloxy)-4-oxo-4H-chromen-5-olate
Synonym Source
luteolin 7-O-β-D-glucoside UniProt
Last Modified
19 June 2014