luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid (CHEBI:37645)

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CHEBI:37645 - luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid

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ChEBI ID	CHEBI:37645
ChEBI Name	luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid
Stars
ASCII Name	luteolin 7-O-[(beta-D-glucosyluronic acid)-(1->2)-(beta-D-glucosiduronic acid)] 4'-O-beta-D-glucosiduronic acid
Definition	A luteolin glucosiduronic acid that consists of luteolin substituted by a β-D-glucopyranosyluronic acid-(1→2)-β-D-glucopyranosiduronic acid group at position 7 and a β-D-glucopyranosyluronic acid group at position 4' via glycosidic linkages.
Secondary ChEBI IDs	CHEBI:6580, CHEBI:14539, CHEBI:25087
Last Modified	17 April 2014
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C33H34O24
Net Charge	0
Average Mass	814.611
Monoisotopic Mass	814.14400
SMILES	O=C(O)[C@H]1O[C@@H](Oc2ccc(-c3cc(=O)c4c(O)cc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)cc4o3)cc2O)[C@H](O)[C@@H](O)[C@@H]1O
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)/t16-,17-,18-,19-,20-,21-,22+,23+,24-,25-,26-,27+,31+,32-,33+/m0/s1
InChIKey	AEYXZGCDWDUIKX-OFFAAIFBSA-N

ChEBI Ontology

Outgoing Relation(s)
	luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid (CHEBI:37645) is a dihydroxyflavone (CHEBI:38686)
	luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid (CHEBI:37645) is a luteolin O-glucuronoside (CHEBI:25091)
	luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid (CHEBI:37645) is conjugate acid of luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate (CHEBI:58678)
Incoming Relation(s)
	luteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate (CHEBI:58678) is conjugate base of luteolin 7-O-[(β-D-glucosyluronic acid)-(1→2)-(β-D-glucosiduronic acid)] 4'-O-β-D-glucosiduronic acid (CHEBI:37645)

IUPAC Name
2-[4-(β-D-glucopyranosyloxyuronic acid)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl (β-D-glucopyranosyluronic acid)-(1→2)-(β-D-glucopyranosiduronic acid)

Synonyms	Source
Luteolin 7-O-[beta-D-glucuronosyl-(1->2)-beta-D-glucuronide]-4'-O-beta-D-glucuronide	KEGG COMPOUND
2-[4-(β-D-glucopyranuronosyloxy)-3-hydroxyphenyl]-5-hydroxy-4-oxo-4H-chromen-7-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid	ChEBI

Manual Xrefs	Databases
C04900	KEGG COMPOUND
LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2	MetaCyc

Registry Numbers	Sources
Reaxys:6561601	Reaxys