EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:196316 - alpha,alpha-dimethylallylcyclolobin

ChEBI IDCHEBI:196316
ChEBI Namealpha,alpha-dimethylallylcyclolobin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H24O5
Net Charge0
Average Mass356.418
Monoisotopic Mass356.16237
SMILESC=CC(C)(C)c1cc(C2COc3cc(O)ccc3C2)c(OC)c(O)c1O
InChIInChI=1S/C21H24O5/c1-5-21(2,3)16-10-15(20(25-4)19(24)18(16)23)13-8-12-6-7-14(22)9-17(12)26-11-13/h5-7,9-10,13,22-24H,1,8,11H2,2-4H3
InChIKeyMJNMCRGAYOIQTB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha,alpha-dimethylallylcyclolobin (CHEBI:196316) is a ether (CHEBI:25698)
alpha,alpha-dimethylallylcyclolobin (CHEBI:196316) is a flavonoids (CHEBI:72544)
IUPAC Name 
4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)-3-methoxy-6-(2-methylbut-3-en-2-yl)benzene-1,2-diol
Manual XrefsDatabases
LMPK12080008LIPID MAPS
10289888ChemSpider