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CHEBI:77989 - luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−)

ChEBI IDCHEBI:77989
ChEBI Nameluteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−)
Stars
ASCII Nameluteolin 7-O-[(beta-D-glucosiduronate)-(1->2)-(beta-D-glucosiduronate)](3-)
DefinitionA flavonoid oxoanion that is a trianionic form of luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)]. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified10 September 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC27H23O18
Net Charge-3
Average Mass635.463
Monoisotopic Mass635.09008
SMILESO=C([O-])[C@H]1O[C@@H](O[C@H]2[C@H](Oc3cc([O-])c4c(=O)cc(-c5ccc(O)c(O)c5)oc4c3)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,38)(H,39,40)/p-3/t16-,17-,18-,19-,20+,21-,22-,23+,26-,27+/m0/s1
InChIKeyPBBVWJQPAZYQDB-DBFWEQBMSA-K
ChEBI Ontology
Outgoing Relation(s)
luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−) (CHEBI:77989) is a carbohydrate acid derivative anion (CHEBI:63551)
luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−) (CHEBI:77989) is a flavonoid oxoanion (CHEBI:60038)
luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−) (CHEBI:77989) is conjugate base of luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)] (CHEBI:57815)
Incoming Relation(s)
luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)] (CHEBI:57815) is conjugate acid of luteolin 7-O-[(β-D-glucosiduronate)-(1→2)-(β-D-glucosiduronate)](3−) (CHEBI:77989)
IUPAC Name 
2-(3,4-dihydroxyphenyl)-7-{[2-O-(β-D-glucopyranuronosyl)-β-D-glucopyranuronosyl]oxy}-4-oxo-4H-chromen-5-olate
UniProt Name  Source
luteolin 7-O-[(β-D-glucuronosyl)-(1→2)-(β-D-glucuronide)]UniProt