EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168190 - Glyinflanin E

ChEBI IDCHEBI:168190
ChEBI NameGlyinflanin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O6
Net Charge0
Average Mass424.493
Monoisotopic Mass424.18859
SMILESC=C(C)C(O)Cc1cc(/C(O)=C/C(=O)c2cc(CC=C(C)C)c(O)cc2O)ccc1O
InChIInChI=1S/C25H28O6/c1-14(2)5-6-17-10-19(25(31)13-23(17)29)24(30)12-22(28)16-7-8-20(26)18(9-16)11-21(27)15(3)4/h5,7-10,12-13,21,26-29,31H,3,6,11H2,1-2,4H3/b22-12-
InChIKeyVYEJOOFTJRPOCV-UUYOSTAYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Glyinflanin E (CHEBI:168190) is a chalcones (CHEBI:23086)
IUPAC Name 
(Z)-1-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-3-hydroxy-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]prop-2-en-1-one
Manual XrefsDatabases
LMPK12120379LIPID MAPS
24846034ChemSpider