CHEBI:77825 - luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−)
ChEBI ID CHEBI:77825
ChEBI ASCII Name luteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate(4-)
Definition A carbohydrate acid derivative anion arising from deprotonation of the carboxy and 5-hydroxy groups of luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate; major microspecies at pH 7.3 (according to Marvin 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C33H30O24
Net Charge -4
Average Mass 810.57910
Monoisotopic Mass 810.11490
InChI InChI=1S/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)29(47)48/h1-6,16-27,31-35,37-44H,(H,45,46)(H,47,48)(H,49,50)/p-4/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1
InChIKey AEYXZGCDWDUIKX-OFFAAIFBSA-J
SMILES O[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@H](O[C@H]2Oc2cc([O-])c3c(c2)oc(cc3=O)-c2ccc(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C([O-])=O)c(O)c2)C([O-])=O)O[C@@H]([C@H]1O)C([O-])=O
ChEBI Ontology
Outgoing luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−) (CHEBI:77825) is a carbohydrate acid derivative anion (CHEBI:63551)
luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−) (CHEBI:77825) is a tricarboxylic acid anion (CHEBI:35753)
luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−) (CHEBI:77825) is conjugate base of luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate (CHEBI:58678)
Incoming luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate (CHEBI:58678) is conjugate acid of luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−) (CHEBI:77825)
IUPAC Name
7-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranuronosyl]oxy}-2-[4-(β-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-4-oxo-4H-chromen-5-olate
Synonym Source
luteolin 7-O-[(β-D-glucuronosyl)-(1→2)-(β-D-glucuronide)] 4'-O-β-D-glucuronide UniProt
Last Modified
10 September 2018