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

ChEBI IDCHEBI:77825
ChEBI Nameluteolin 7-O-[(β-D-glucosyluronate)-(1→2)-(β-D-glucosiduronate)] 4'-O-β-D-glucosiduronate(4−)
Stars
ASCII Nameluteolin 7-O-[(beta-D-glucosyluronate)-(1->2)-(beta-D-glucosiduronate)] 4'-O-beta-D-glucosiduronate(4-)
DefinitionA 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.).
Last Modified10 September 2018
SubmitterKAX
DownloadsMolfile
FormulaC33H30O24
Net Charge-4
Average Mass810.579
Monoisotopic Mass810.11490
SMILESO=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
InChIInChI=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
InChIKeyAEYXZGCDWDUIKX-OFFAAIFBSA-J
ChEBI Ontology
Outgoing Relation(s)
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 Relation(s)
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
UniProt Name  Source
luteolin 7-O-[(β-D-glucuronosyl)-(1→2)-(β-D-glucuronide)] 4'-O-β-D-glucuronideUniProt