EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:191670 - Spinacetin 3-glucoside

Default Structure
ChEBI IDCHEBI:191670
ChEBI NameSpinacetin 3-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H24O13
Net Charge0
Average Mass508.432
Monoisotopic Mass508.12169
SMILESCOc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2O[C@H]2O[C@H](CO)[C@@H](O)C(O)C2O)ccc1O
InChIInChI=1S/C23H24O13/c1-32-11-5-8(3-4-9(11)25)20-22(36-23-19(31)18(30)15(27)13(7-24)35-23)17(29)14-12(34-20)6-10(26)21(33-2)16(14)28/h3-6,13,15,18-19,23-28,30-31H,7H2,1-2H3/t13-,15-,18?,19?,23-/m1/s1
InChIKeyMPUCOEGUJZQKTC-KLERPNLGSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Spinacetin 3-glucoside (CHEBI:191670) is a flavonoids (CHEBI:72544)
Spinacetin 3-glucoside (CHEBI:191670) is a glycoside (CHEBI:24400)
IUPAC Name 
5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-6-methoxy-3-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24845497ChemSpider
LMPK12112900LIPID MAPS