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CHEBI:192235 - spinacetin 3-β-gentiobioside

ChEBI IDCHEBI:192235
ChEBI Namespinacetin 3-β-gentiobioside
Stars
ASCII Namespinacetin 3-beta-gentiobioside
DefinitionA dimethoxyflavone that is spinacetin in which the hydroxy group at position 3 has been replaced by a β-gentiobiosyl group.
Last Modified18 July 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O18
Net Charge0
Average Mass670.573
Monoisotopic Mass670.17451
SMILES[H][C@@]1(OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(OC)c4)oc4cc(O)c(OC)c(O)c4c3=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C29H34O18/c1-41-12-5-9(3-4-10(12)31)25-27(20(36)16-13(44-25)6-11(32)26(42-2)19(16)35)47-29-24(40)22(38)18(34)15(46-29)8-43-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3/t14-,15-,17-,18-,21+,22+,23-,24-,28-,29+/m1/s1
InChIKeyZZNVCZGRNCQHCQ-JZSCMRTJSA-N
Species of MetaboliteComponentSourceComments
Marine plankton environmental sample (ncbitaxon:632957) - MetaboLights (MTBLS4424) Found in endometabolome.
Elaeagnus conferta (ncbitaxon:1672629) leaf (BTO:0000713) PubMed (40444128)
Spinacia oleracea (ncbitaxon:3562) leaf (BTO:0000713) DOI (10.1016/S0031-9422(00)94534-5)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
spinacetin 3-β-gentiobioside (CHEBI:192235) has functional parent Spinacetin (CHEBI:175364)
spinacetin 3-β-gentiobioside (CHEBI:192235) has functional parent β-D-Glcp-(1→6)-β-D-Glcp (CHEBI:71422)
spinacetin 3-β-gentiobioside (CHEBI:192235) has role plant metabolite (CHEBI:76924)
spinacetin 3-β-gentiobioside (CHEBI:192235) is a dimethoxyflavone (CHEBI:23798)
spinacetin 3-β-gentiobioside (CHEBI:192235) is a disaccharide derivative (CHEBI:63353)
spinacetin 3-β-gentiobioside (CHEBI:192235) is a trihydroxyflavone (CHEBI:27116)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonyms  Source
spinacetin 3-gentiobiosideChEBI
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-1-benzopyran-3-yl 6-O-β-D-glucopyranosyl-β-D-glucopyranosideIUPAC
spinacetin 3-O-β-gentiobiosideChEBI
3-[(6-O-β-D-glucopyranosyl-β-D-glucopyranosyl)oxy]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-oneChEBI
spinacetin 3-O-β-D-glucopyranosyl-(1→6)-β-D-glucopyranosideChEBI
Manual XrefsDatabases
10290043ChemSpider
LMPK12112901LIPID MAPS
Registry NumbersSources
CAS:101021-29-8ChEBI
Citations