EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:77671 - luteolin 7-O-β-D-glucosiduronate(2−)

ChEBI IDCHEBI:77671
ChEBI Nameluteolin 7-O-β-D-glucosiduronate(2−)
Stars
ASCII Nameluteolin 7-O-beta-D-glucosiduronate(2-)
DefinitionA carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-β-D-glucosiduronic acid; major species at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 September 2018
SubmitterKAX
DownloadsMolfile
FormulaC21H16O12
Net Charge-2
Average Mass460.347
Monoisotopic Mass460.06527
SMILESO=C([O-])[C@H]1O[C@@H](Oc2cc([O-])c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/p-2/t16-,17-,18+,19-,21+/m0/s1
InChIKeyVSUOKLTVXQRUSG-ZFORQUDYSA-L
ChEBI Ontology
Outgoing Relation(s)
luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671) is a carbohydrate acid derivative anion (CHEBI:63551)
luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671) is conjugate base of luteolin 7-O-β-D-glucosiduronate (CHEBI:58385)
luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671) is conjugate base of luteolin 7-O-β-D-glucosiduronic acid (CHEBI:18128)
Incoming Relation(s)
luteolin 7-O-β-D-glucosiduronate (CHEBI:58385) is conjugate acid of luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671)
luteolin 7-O-β-D-glucosiduronic acid (CHEBI:18128) is conjugate acid of luteolin 7-O-β-D-glucosiduronate(2−) (CHEBI:77671)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-7-(β-D-glucopyranuronosyloxy)-4-oxo-4H-chromen-5-olate
UniProt Name  Source
luteolin 7-O-β-D-glucuronideUniProt